643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6])	O[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6,6a])(O[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2){6|C<3>}	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])(O[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2)	O[6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])(O[6a]C[6a,6a]){6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2){6|C<3>}	O[6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a,6a]2){6|C<3>}	114.4880	0.000	1	114.4880	0.000	1	114.4880	0.000	1	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(O[6a]C[6a]){6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2){6|C<3>}	O[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2){6|C<3>}	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>}	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6])	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	112.3785	0.035	2	112.3785	0.001	2	112.9147	0.863	3	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O)	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	113.9870	0.000	1	113.9870	0.000	1	112.9147	0.863	3	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	112.5987	0.158	3	112.5987	0.025	3	112.5987	0.025	3	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	112.0735	0.542	2	112.1760	0.179	3	112.2448	0.815	5	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|O<2>,5|C<3>}	112.3810	0.000	1	112.1760	0.179	3	112.2448	0.815	5	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|I<1>,5|C<3>}	111.1510	0.000	1	111.1510	0.000	1	112.2448	0.815	5	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a]){5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	113.5450	0.000	1	113.5450	0.000	1	112.2448	0.815	5	112.8575	0.939	15	112.8575	0.939	15	112.8575	0.939	15
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])(O[6a]C[6a])(O)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O)	O[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])(O[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O){1|C<3>,2|C<4>}	O[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|C<3>,2|C<4>}	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:O[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C){2|C<3>}	125.5897	1.042	3	125.5897	1.087	3	125.5897	1.087	3	124.7145	3.252	6	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:O[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C)	O[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C){1|C<4>,3|C<3>}	O[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|C<4>}	121.3250	0.000	1	121.3250	0.000	1	121.3250	0.000	1	124.7145	3.252	6	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:O[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(O[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]O[6a]N)	O[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(O[6a]C[6a])(NCC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]O[6a]N){3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	125.1570	0.000	1	125.1570	0.000	1	125.1570	0.000	1	124.7145	3.252	6	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:O[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5])	O[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5]){1|C<3>,4|C<4>}	O[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|C<3>,2|C<4>}	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	124.7145	3.252	6	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:O[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C){2|C<3>}	128.7490	0.000	1	128.7490	0.000	1	126.1733	5.006	3	126.1733	5.006	3	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:O[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C){2|C<3>}	124.8855	0.245	2	124.8855	0.060	2	126.1733	5.006	3	126.1733	5.006	3	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a]){1|C<4>,1|N<2>,4|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	125.1975	0.218	2	125.2203	0.025	3	124.9550	0.299	4	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a]){1|C<4>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	125.2660	0.000	1	125.2203	0.025	3	124.9550	0.299	4	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a]){5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	124.1590	0.000	1	124.1590	0.000	1	124.9550	0.299	4	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	126.1730	0.000	1	125.9065	4.120	8	125.9065	4.120	8	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	125.2945	1.462	2	125.9065	4.120	8	125.9065	4.120	8	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	124.9723	0.343	4	125.9065	4.120	8	125.9065	4.120	8	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){2|Cl<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	130.6010	0.000	1	125.9065	4.120	8	125.9065	4.120	8	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	O[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	125.9393	0.351	3	125.7832	0.180	4	125.7832	0.180	4	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:3:2:	3:3:	3:3:	O[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	125.3150	0.000	1	125.7832	0.180	4	125.7832	0.180	4	125.6378	2.187	16	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	2:4:2:	3:3:	3:3:	N[6a]-2:C[5]-4:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(O[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5]){1|Fe<10>,2|C<3>,2|C<4>}	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a])	O[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	124.2550	0.000	1	124.2550	0.000	1	124.2550	0.000	1	124.6438	0.296	5	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	125.3930	0.000	1	124.9797	0.156	3	124.7410	0.332	4	124.6438	0.296	5	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	124.7730	0.238	2	124.9797	0.156	3	124.7410	0.332	4	124.6438	0.296	5	125.1235	3.781	32	125.1235	3.781	32
643	371	933	6:SP2_SP2_SP2	C[6a]	N[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>}	124.0250	0.000	1	124.0250	0.000	1	124.7410	0.332	4	124.6438	0.296	5	125.1235	3.781	32	125.1235	3.781	32
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	2:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN)	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NN)	116.6260	0.000	1	116.6260	0.000	1	114.5827	13.746	3	114.5827	13.746	3	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	2:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NN)	113.5610	4.608	2	113.5610	21.229	2	114.5827	13.746	3	114.5827	13.746	3	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	2:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	108.1325	4.489	4	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	2:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:C[6a]-3:	C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NOO)	107.0783	0.257	3	107.0783	0.066	3	107.0783	0.066	3	108.1325	4.489	4	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:2:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N(C[6a]N[6a]2)(H)	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<2>,1|C<3>}	N(C[6a]N[6a]2)(NN)	111.6805	0.026	2	111.6805	0.001	2	111.6805	0.001	2	111.6805	0.001	2	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:2:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](N[6a]N[6a])2(NC)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(CNN)	C[6a](N[6a]N[6a])2(NC){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	N(C[6a]N[6a]2)(CNN)	118.6307	5.974	6	118.6307	35.685	6	118.6307	35.685	6	118.4385	32.348	8	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:2:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:	C[6a](N[6a]N[6a])2(NN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[6a])2(NN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NOO)	117.8620	6.865	2	117.8620	47.123	2	117.8620	47.123	2	118.4385	32.348	8	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)	120.4010	0.000	1	119.9985	0.324	2	119.9985	0.324	2	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)	119.5960	0.000	1	119.9985	0.324	2	119.9985	0.324	2	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)	116.1380	0.000	1	116.1380	0.000	1	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)	116.6370	0.000	1	116.6370	0.000	1	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)	117.7080	0.000	1	117.7080	0.000	1	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)	117.1040	0.793	2	117.1040	0.629	2	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)	117.4130	0.434	2	117.4130	0.188	2	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)	119.6503	0.273	6	119.6503	0.075	6	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)	119.6480	3.963	2	119.6480	15.702	2	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)	117.0190	0.000	1	117.0190	0.000	1	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)	116.2270	0.000	1	116.2270	0.000	1	118.2330	3.097	17	118.4188	3.081	19	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N(C[6a]N[6a]2)(NN)	113.1260	0.000	1	113.1260	0.000	1	113.1260	0.000	1	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(NN)	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[6a,6a])2(NN)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a,6a])2(NN){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(NN)	115.5780	3.142	2	115.5780	9.875	2	115.5780	9.875	2	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a])2(NC){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CN)	117.7027	3.028	6	117.7027	9.166	6	117.7027	9.166	6	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|S<4>}	N(C[6a]N[6a]2)(NN)	118.7370	0.000	1	118.7370	0.000	1	117.6544	8.409	8	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(NN)	117.5270	0.000	1	117.5270	0.000	1	117.6544	8.409	8	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|N<2>}	N(C[6a]N[6a]2)(NN)	120.2110	0.006	2	120.2110	0.000	2	117.6544	8.409	8	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[6a])2(NN)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])2(NN){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(NN)	116.1372	3.435	4	116.1372	11.798	4	117.6544	8.409	8	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	N[5,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|N<3>,3|N<2>}	N(C[6a]N[6a]2)(NN)	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	N(C[6a]N[6a]2)(NN)	114.5360	0.000	1	117.7310	20.416	2	117.7310	20.416	2	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	N(C[6a]N[6a]2)(NN)	120.9260	0.000	1	117.7310	20.416	2	117.7310	20.416	2	116.9736	8.662	21	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(NOO)	124.8990	0.000	1	124.8990	0.000	1	124.8990	0.000	1	120.2336	36.787	10	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)	117.0233	1.019	4	117.0233	1.038	4	117.0233	1.038	4	120.2336	36.787	10	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(NOO)	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	120.2336	36.787	10	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)	119.5540	0.000	1	119.5540	0.000	1	119.5540	0.000	1	120.2336	36.787	10	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(C[6a]N[6a]2)(NOO)	126.6200	0.000	1	126.9617	0.188	3	126.9617	0.188	3	120.2336	36.787	10	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	N(C[6a]N[6a]2)(NOO)	127.1325	0.448	2	126.9617	0.188	3	126.9617	0.188	3	120.2336	36.787	10	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](N[6a]C[6,6a])2(NP)	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(PCl3)	C[6a](N[6a]C[6,6a])2(NP){1|N<3>,2|N<2>}	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(PCl3)	116.8885	0.711	2	116.8885	0.505	2	116.8885	0.505	2	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)	117.0820	1.335	2	117.0820	1.782	2	116.7767	1.598	6	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)	115.8430	1.121	2	115.8430	1.258	2	116.7767	1.598	6	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(NC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCHH)	116.3490	0.000	1	116.3490	0.000	1	116.7767	1.598	6	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(NC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCHH)	118.4610	0.000	1	118.4610	0.000	1	116.7767	1.598	6	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(PC[6a]3)	C[6a](N[6a]C[6a])2(NP){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(PC[6a]3)	120.0517	7.676	4	120.0517	58.924	4	118.0420	15.948	28	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(PCl3)	C[6a](N[6a]C[6a])2(NP){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(PCl3)	117.0920	1.761	12	117.0920	3.101	12	118.0420	15.948	28	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(PN3)	C[6a](N[6a]C[6a])2(NP){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(PN3)	117.5448	1.758	6	117.5448	3.091	6	118.0420	15.948	28	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(PN[5]3)	C[6a](N[6a]C[6a])2(NP){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(PN[5]3)	119.0995	5.815	6	119.0995	33.818	6	118.0420	15.948	28	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)	118.6474	2.467	14	117.9218	9.628	22	117.0751	12.730	58	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)	116.6519	3.832	8	117.9218	9.628	22	117.0751	12.730	58	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)	114.7687	2.365	14	116.5576	14.228	36	117.0751	12.730	58	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)	117.6960	4.094	22	116.5576	14.228	36	117.0751	12.730	58	117.3401	12.741	94	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:1:	N[6a]-2:N[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	120.6600	0.271	2	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:1:	N[6a]-2:N[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	120.6600	0.271	2	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN)	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(NN)	118.7420	0.000	1	118.7420	0.000	1	118.7420	0.000	1	117.6858	6.356	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	117.6858	6.356	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	114.9123	4.481	3	114.9123	20.082	3	114.9123	20.082	3	117.6858	6.356	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|C<4>,2|N<2>}	N(C[6a]C[6a]N[6a])(NN)	116.7260	0.000	1	116.7260	0.000	1	118.5293	1.194	15	117.6858	6.356	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<3>,2|H<1>,2|N<2>}	N(C[6a]C[6a]N[6a])(NN)	118.6581	1.009	14	118.6581	1.017	14	118.5293	1.194	15	117.6858	6.356	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	121.4180	1.042	4	121.4180	1.087	4	121.4180	1.087	4	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	121.8035	0.750	10	121.5899	1.008	11	121.5899	1.008	11	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	119.4540	0.000	1	121.5899	1.008	11	121.5899	1.008	11	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SCl2)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,2|S<2>}	N(C[6a]C[6a]N[6a])(SCl2)	122.1780	0.000	1	122.1780	0.000	1	122.1780	0.000	1	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	121.1305	1.428	2	121.1305	2.038	2	121.1305	2.038	2	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)	113.9250	0.232	4	113.9250	0.054	4	115.7977	8.465	6	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CNN)	119.5430	0.281	2	119.5430	0.079	2	115.7977	8.465	6	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[5]N[5]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[5]N[5]2)	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N(C[6a]N[6a]2)(CHN)	123.4670	0.000	1	125.2077	2.692	3	125.2077	2.692	3	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N(C[6a]N[6a]2)(CHN)	126.0780	0.916	2	125.2077	2.692	3	125.2077	2.692	3	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CHN)	124.0610	0.000	1	124.0610	0.000	1	124.0610	0.000	1	120.7792	10.454	29	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[5,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	N(C[6a]C[5,6a]N[6a])(H)	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>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[5a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)	118.9650	0.000	1	118.9650	0.000	1	118.9650	0.000	1	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a,6a]-3:N[6a]-2:N-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	116.9670	0.127	2	116.9670	0.016	2	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)	117.3130	0.000	1	117.3130	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)	117.1660	0.000	1	117.1660	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)	117.6390	0.000	1	117.6390	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	119.4865	0.115	2	119.4865	0.013	2	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)	117.4070	0.000	1	117.4070	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)	118.4480	0.000	1	118.4480	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)	117.4600	0.023	2	117.4600	0.001	2	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)	119.4170	0.000	1	119.4170	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)	118.9990	0.000	1	118.9990	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)	119.5820	0.000	1	119.5820	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)	117.8040	0.000	1	117.8040	0.000	1	118.1068	1.028	15	118.2214	1.092	18	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(NN)	120.7480	0.000	1	120.7480	0.000	1	120.7480	0.000	1	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a,6a]-3:N[6a]-2:N-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	N(C[6a]C[6a,6a]N[6a])(OH)	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a])	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	121.2520	0.000	1	121.2520	0.000	1	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.0610	0.000	1	111.9040	0.068	3	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.0480	0.000	1	111.9040	0.068	3	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	111.6030	0.000	1	111.9040	0.068	3	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.2880	0.000	1	112.4305	0.036	6	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.5910	0.000	1	112.4305	0.036	6	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.4550	0.000	1	112.4305	0.036	6	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.5060	0.288	2	112.4305	0.036	6	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.2370	0.000	1	112.4305	0.036	6	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NRe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NRe)	116.7905	2.990	6	117.0856	8.062	7	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NRe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(NRe)	118.8560	0.000	1	117.0856	8.062	7	114.7733	11.607	17	115.4694	12.953	20	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a,6a]N)2	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)2{3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	122.7985	0.520	2	122.7985	0.270	2	120.8722	6.071	4	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	118.9460	1.761	2	118.9460	3.100	2	120.8722	6.071	4	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	117.0440	0.000	1	117.0440	0.000	1	117.3885	0.237	2	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	117.7330	0.000	1	117.7330	0.000	1	117.3885	0.237	2	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	118.7255	1.997	11	118.7255	3.987	11	119.4690	9.714	22	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	117.4820	0.373	2	117.4820	0.139	2	119.4690	9.714	22	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	120.8825	0.568	2	121.0588	0.186	4	119.4690	9.714	22	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	121.2350	0.334	2	121.0588	0.186	4	119.4690	9.714	22	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]N)2	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	123.1887	0.700	4	123.1887	0.490	4	119.4690	9.714	22	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	110.3840	0.000	1	110.3840	0.000	1	119.4690	9.714	22	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]C)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]C)	120.2480	0.000	1	120.2480	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	121.7775	0.274	2	121.7775	0.075	2	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC){1|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	116.9430	0.000	1	116.9430	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCN)	119.6480	0.916	2	119.6480	0.840	2	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	112.4510	0.359	2	112.4510	0.129	2	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)	112.8480	0.000	1	112.8480	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	118.4730	0.000	1	118.4730	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)	114.2723	0.305	3	114.2340	0.068	4	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)	114.1190	0.000	1	114.2340	0.068	4	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHN)	117.3450	0.000	1	117.3450	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|C<7>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N){1|C<3>,2|H<2>,6|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	119.0020	0.000	1	119.0020	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	113.8110	0.254	3	113.5840	0.133	5	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	113.2435	0.135	2	113.5840	0.133	5	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)	119.3280	0.000	1	119.3280	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]O)	113.3720	0.538	4	113.3720	0.290	4	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	119.2267	0.258	3	119.6503	0.437	13	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	119.4827	0.437	3	119.6503	0.437	13	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	120.2163	0.863	3	119.6503	0.437	13	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	119.6693	0.742	4	119.6503	0.437	13	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	115.0970	0.000	1	115.0970	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]S)	120.3360	0.000	1	120.3360	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHN)	115.0927	0.174	3	115.0927	0.030	3	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CSS)	114.6030	0.000	1	114.6030	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCC)	119.4850	0.000	1	119.4850	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	122.7580	0.000	1	122.7580	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCC)	119.7180	0.000	1	119.7180	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHN)	120.6130	0.000	1	120.6130	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.5640	1.198	2	117.8130	11.308	8	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	117.8960	3.938	6	117.8130	11.308	8	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	120.8800	0.000	1	120.8800	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)	114.5110	0.000	1	114.5110	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]H)	120.7080	0.000	1	120.7080	0.000	1	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	120.7335	0.381	2	120.7335	0.145	2	117.4790	9.932	62	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	116.5155	0.088	2	116.5155	0.008	2	118.8550	16.424	3	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[5]N[5]S[5])	123.5340	0.000	1	123.5340	0.000	1	118.8550	16.424	3	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[5,6]N[6])	114.7110	0.000	1	114.7110	0.000	1	118.5886	4.967	5	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	119.2770	0.249	3	119.2770	0.062	3	118.5886	4.967	5	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	120.4010	0.000	1	120.4010	0.000	1	118.5886	4.967	5	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.9290	0.000	1	118.9290	0.000	1	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.4880	0.000	1	116.4880	0.000	1	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3540	0.000	1	119.3540	0.000	1	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3955	0.511	2	119.3955	0.261	2	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	118.8100	0.000	1	118.8100	0.000	1	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	122.0430	0.000	1	122.0430	0.000	1	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2	117.3760	3.498	3	117.6530	8.464	4	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2	118.4840	0.000	1	117.6530	8.464	4	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	110.8830	0.000	1	110.8830	0.000	1	117.9925	9.333	12	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:	N[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CHN)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(CHN)	123.6940	0.000	1	123.6940	0.000	1	123.6940	0.000	1	118.1837	10.045	112	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(CCCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CCCH)	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	117.6050	0.000	1	117.6050	0.000	1	116.5954	1.631	5	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	115.5985	0.357	2	115.5985	0.128	2	116.5954	1.631	5	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	115.8820	0.000	1	115.8820	0.000	1	116.5954	1.631	5	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(CCHH)	118.2930	0.000	1	118.2930	0.000	1	116.5954	1.631	5	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2C)	119.9130	0.000	1	119.9130	0.000	1	118.7928	5.175	6	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PN3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PN3)	114.4140	0.000	1	114.4140	0.000	1	118.7928	5.175	6	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	120.5180	0.000	1	120.5180	0.000	1	118.7928	5.175	6	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	120.3550	0.000	1	120.3550	0.000	1	118.7928	5.175	6	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	118.6580	0.000	1	118.6580	0.000	1	118.7928	5.175	6	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	118.8990	0.000	1	118.8990	0.000	1	118.7928	5.175	6	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	116.6300	0.000	1	116.6300	0.000	1	115.4571	6.454	9	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	114.2590	0.146	2	113.9072	0.457	6	115.4571	6.454	9	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	113.3460	0.238	3	113.9072	0.457	6	115.4571	6.454	9	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	114.8870	0.000	1	113.9072	0.457	6	115.4571	6.454	9	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	119.0040	0.000	1	119.0040	0.000	1	115.4571	6.454	9	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)	120.0370	0.000	1	120.0370	0.000	1	115.4571	6.454	9	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	941	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)	117.9710	0.000	1	117.9710	0.000	1	117.9710	0.000	1	116.8759	6.108	22	117.7685	12.886	386	117.7685	12.886	386
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	2:3:	3:	N[6a]-2:N[6a]-2:I-1:	N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I){2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I){2|C<3>}	I(C[6a]N[6a]2)	115.2900	0.000	1	115.2900	0.000	1	115.2900	0.000	1	115.2900	0.000	1	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:I-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|N<3>,2|C<3>}	I(C[6a]N[6a]2)	116.4080	0.000	1	116.3970	0.000	2	116.3970	0.000	2	115.8351	2.073	7	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:I-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	I(C[6a]N[6a]2)	116.3860	0.000	1	116.3970	0.000	2	116.3970	0.000	2	115.8351	2.073	7	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:I-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	I(C[6a]N[6a]2)	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	115.8351	2.073	7	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I){1|C<3>,1|N<2>}	I(C[6a]N[6a]2)	115.3170	0.000	1	115.3170	0.000	1	115.3657	3.453	4	115.8351	2.073	7	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I){1|C<3>,1|N<3>}	I(C[6a]N[6a]2)	112.9200	0.000	1	112.9200	0.000	1	115.3657	3.453	4	115.8351	2.073	7	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(I)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I)	I(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I){1|Br<1>,1|C<3>}	I(C[6a]N[6a]2)	116.6130	1.124	2	116.6130	1.264	2	115.3657	3.453	4	115.8351	2.073	7	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I){1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|H<1>,4|C<3>}	I(C[6a]C[6a]N[6a])	114.5493	0.058	3	114.5493	0.003	3	114.4532	0.039	4	114.4532	0.039	4	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]N[6a])	114.1650	0.000	1	114.1650	0.000	1	114.4532	0.039	4	114.4532	0.039	4	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I)	N[6a](C[6a]C[6a]I)(N[6a]C[6a])	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]I)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]N[6a])	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I)	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H)	I(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H){1|C<3>,1|N<3>}	I(C[6a]C[5a,6a]N[6a])	115.3200	0.000	1	115.3200	0.000	1	115.3200	0.000	1	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I)	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)	I(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]N[6a])	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	I(C[6a]C[6a]N[6a])	116.3045	1.330	2	116.4682	0.990	4	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){2|Br<1>,1|C<3>}	I(C[6a]C[6a]N[6a])	116.6320	1.045	2	116.4682	0.990	4	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]I)2	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]I)2{1|C<3>,2|C<4>}	I(C[6a]C[6a]N[6a])	115.3270	0.000	1	115.3270	0.000	1	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	I(C[6a]C[6a]N[6a])	116.6120	0.881	2	116.6120	0.776	2	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I){1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]N[6a])	115.6490	0.000	1	115.6490	0.000	1	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]I)2	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]I)2{1|C<3>,2|H<1>}	I(C[6a]C[6a]N[6a])	115.8850	0.000	1	115.8850	0.000	1	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	I(C[6a]C[6a]N[6a])	116.0290	0.949	2	116.1193	0.402	6	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|I<1>}	I(C[6a]C[6a]N[6a])	115.9515	0.770	2	116.1193	0.402	6	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	I(C[6a]C[6a]N[6a])	116.3775	0.556	2	116.1193	0.402	6	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]N[6a])	115.9520	0.000	1	114.6325	3.482	2	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]N[6a])	113.3130	0.000	1	114.6325	3.482	2	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]N[6a])	116.2970	0.000	1	116.2970	0.000	1	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]N[6a])	115.6397	0.424	3	115.6397	0.180	3	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	944	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]N[6a])	117.1730	0.000	1	117.1730	0.000	1	116.0149	0.833	22	115.9067	0.926	24	115.6764	1.203	37	115.6764	1.203	37
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(PC[6a]2)	N[6a](C[6a]N[6a]P)2	P(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(PC[6a]2){1|N<2>,2|P<3>}	N[6a](C[6a]N[6a]P)2{1|C<3>}	P(C[6a]C[6a]2)2(C[6a]N[6a]2)	117.3068	3.310	12	117.3068	10.958	12	117.3068	10.958	12	117.3068	10.958	12	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(Cl)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[6a]N[6a])(Cl)2	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:P-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	P(C[6a]C[6a,6a]N[6a])(Cl)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	P(C[6a]C[6a,6a]N[6a])(Cl)2	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	113.3910	0.000	1	113.3910	0.000	1	113.9134	3.579	10	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])3	112.8800	0.000	1	112.8800	0.000	1	113.9134	3.579	10	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])3	113.2474	0.168	5	113.2474	0.028	5	113.9134	3.579	10	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	117.3205	1.266	2	117.3205	1.604	2	113.9134	3.579	10	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	111.9850	0.000	1	111.9850	0.000	1	113.9134	3.579	10	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2	110.8850	0.887	2	110.8850	0.786	2	110.8850	0.786	2	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(PCC)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(PCC)2	120.5700	0.000	1	120.5700	0.000	1	115.6425	48.561	2	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(PC[6]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2)2	110.7150	0.000	1	110.7150	0.000	1	115.6425	48.561	2	113.6105	7.735	15	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(PC[6]2C)(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2C)(PC[6]2)	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(CCCH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(CCCH)2	115.9665	0.934	2	115.9665	0.873	2	115.9665	0.873	2	116.9260	3.198	3	114.9880	15.268	33	114.9880	15.268	33
643	371	945	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(PC[6]2C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2C)2	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	116.9260	3.198	3	114.9880	15.268	33	114.9880	15.268	33
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	2:3:	3:	N[6a]-2:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H)	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	115.6920	0.000	1	115.6920	0.000	1	117.3303	5.382	3	117.3303	5.382	3	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	2:3:	3:	N[6a]-2:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	118.1495	2.596	2	118.1495	6.738	2	117.3303	5.382	3	117.3303	5.382	3	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:2:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	H(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>}	H(C[6a]N[6a]2)	116.7375	0.005	2	116.8932	0.178	22	116.8932	0.178	22	116.8932	0.178	22	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:2:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	H(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	117.0370	0.112	4	116.8932	0.178	22	116.8932	0.178	22	116.8932	0.178	22	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:2:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	H(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	H(C[6a]N[6a]2)	116.7790	1.697	2	116.8932	0.178	22	116.8932	0.178	22	116.8932	0.178	22	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:2:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	H(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	116.9462	0.235	10	116.8932	0.178	22	116.8932	0.178	22	116.8932	0.178	22	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:2:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	H(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	H(C[6a]N[6a]2)	116.7518	0.135	4	116.8932	0.178	22	116.8932	0.178	22	116.8932	0.178	22	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	115.9930	0.263	2	115.9930	0.069	2	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	116.7935	0.042	2	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.9005	1.346	2	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.3250	0.000	1	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.1789	0.608	8	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Co<6>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.8660	0.138	4	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	116.2313	1.182	4	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	113.4420	0.000	1	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	116.0958	0.096	4	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.5480	0.000	1	115.7002	0.786	27	115.7204	0.738	29	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H)	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.4700	0.000	1	115.4700	0.000	1	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.9820	0.120	2	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	115.6180	0.000	1	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	H(C[6a]N[6a]2)	115.3280	0.000	1	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,1|S<2>,2|C<3>}	H(C[6a]N[6a]2)	115.1500	0.000	1	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]N[6a]2)	115.5070	0.154	2	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	115.1680	0.000	1	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|S<2>,2|C<3>}	H(C[6a]N[6a]2)	115.9950	0.000	1	115.5819	0.120	9	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.4675	0.166	2	115.1584	0.500	5	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	114.4350	0.219	2	115.1584	0.500	5	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.9870	0.000	1	115.1584	0.500	5	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.3710	0.000	1	115.3710	0.000	1	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.6200	0.106	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.5280	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.4760	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.4740	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.6300	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	114.5960	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.8785	0.173	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.8790	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.8050	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	115.6810	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.5765	0.692	11	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.3090	0.542	3	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.4610	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	115.9520	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.8520	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|P<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.5120	0.010	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.2760	0.076	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.5560	0.227	4	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.3837	0.270	4	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.2616	0.730	106	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	115.6926	0.445	10	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Co<6>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.7520	0.123	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.3932	0.515	22	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.9360	0.212	3	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.4363	0.389	4	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.1025	0.161	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	116.1260	0.292	3	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.8492	0.261	20	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.8130	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Co<6>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	116.5220	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.2380	0.031	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,1|S<4>,2|C<3>}	H(C[6a]N[6a]2)	115.8225	0.016	2	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.7506	0.474	22	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	116.0030	1.190	8	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.7800	0.000	1	115.4946	0.422	250	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H){3|C<3>}	H(C[6a]N[6a]2)	115.9130	0.000	1	115.9130	0.000	1	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	H(C[6a]N[6a]2)	116.3715	0.288	2	116.3832	0.212	5	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	H(C[6a]N[6a]2)	116.5135	0.821	2	116.3832	0.212	5	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|O<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	H(C[6a]N[6a]2)	116.1460	0.000	1	116.3832	0.212	5	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H){3|C<3>}	H(C[6a]N[6a]2)	115.9870	0.000	1	115.9870	0.000	1	115.5103	0.419	273	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H){1|N<3>,3|C<3>}	H(C[6a]N[6a]2)	115.4320	0.000	1	115.4320	0.000	1	115.9147	0.210	7	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	116.6320	0.000	1	116.6320	0.000	1	115.9147	0.210	7	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<3>,3|C<4>}	H(C[6a]N[6a]2)	115.3500	0.000	1	115.7325	0.293	2	115.9147	0.210	7	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	116.1150	0.000	1	115.7325	0.293	2	115.9147	0.210	7	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	H(C[6a]N[6a]2)	115.8260	0.206	2	115.8260	0.043	2	115.9147	0.210	7	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.2220	0.000	1	116.2220	0.000	1	115.9147	0.210	7	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.2170	0.000	1	116.2170	0.000	1	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.3380	0.000	1	115.3380	0.000	1	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.9330	0.000	1	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.5485	0.098	2	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|N<2>}	H(C[6a]N[6a]2)	115.7305	0.047	2	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.7910	0.457	31	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.5493	0.162	3	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.1930	0.000	1	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	116.2390	0.000	1	115.7827	0.175	41	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){3|C<3>}	H(C[6a]N[6a]2)	115.3780	0.000	1	115.3412	0.197	5	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.6825	0.508	2	115.3412	0.197	5	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	114.9815	0.190	2	115.3412	0.197	5	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.2415	0.078	2	115.3925	0.008	48	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.3990	0.086	46	115.3925	0.008	48	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.2515	0.084	2	115.2515	0.007	2	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.6225	0.217	2	115.6395	0.019	4	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.6565	0.093	2	115.6395	0.019	4	115.5613	0.124	102	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|O<2>,2|C<3>}	H(C[6a]N[6a]2)	115.5690	0.000	1	115.5690	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	116.1015	0.145	4	116.1015	0.021	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.7410	0.150	2	115.8690	0.043	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	115.9970	0.205	2	115.8690	0.043	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.6517	0.701	16	115.6517	0.492	16	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,3|C<3>}	H(C[6a]N[6a]2)	114.2300	0.000	1	114.2300	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.8855	1.414	2	115.7013	1.101	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.3330	0.000	1	115.7013	1.101	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.6505	0.168	2	115.9144	0.082	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.5230	0.000	1	115.9144	0.082	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	116.1118	0.169	4	115.9144	0.082	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.7690	0.000	1	115.9144	0.082	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.1900	0.000	1	115.9144	0.082	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6a]N[6a]2)	115.7295	0.202	2	115.7295	0.041	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|O<2>,2|C<3>}	H(C[6a]N[6a]2)	115.5160	0.000	1	115.1098	1.020	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|S<2>,2|C<3>}	H(C[6a]N[6a]2)	114.7785	1.616	2	115.1098	1.020	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|O<2>,3|C<3>}	H(C[6a]N[6a]2)	115.3660	0.000	1	115.1098	1.020	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H){1|C<2>,2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	116.6910	0.000	1	116.6910	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.7131	0.169	17	115.6751	0.488	28	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.6169	1.186	10	115.6751	0.488	28	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<3>,3|C<3>}	H(C[6a]N[6a]2)	115.6110	0.000	1	115.6751	0.488	28	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.8190	0.171	3	115.8842	0.083	32	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.8798	0.272	24	115.8842	0.083	32	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.8130	0.000	1	115.8842	0.083	32	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.9480	0.839	2	115.8842	0.083	32	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	116.0080	0.214	2	115.8842	0.083	32	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.8940	0.000	1	115.9360	0.009	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.0470	0.000	1	115.9360	0.009	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.8670	0.000	1	115.9360	0.009	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<2>}	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.9000	0.000	1	115.9000	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.8953	0.544	11	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.0190	0.000	1	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.9120	0.000	1	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.3897	0.686	120	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.4290	0.439	23	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.2890	0.000	1	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.6450	0.000	1	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|S<2>}	H(C[6a]N[6a]2)	115.4585	0.139	2	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.1630	0.000	1	115.4312	0.415	161	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	115.1480	0.208	2	115.1480	0.043	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	115.6880	0.418	4	115.7164	0.135	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){2|C<3>,2|N<2>}	H(C[6a]N[6a]2)	115.8300	0.000	1	115.7164	0.135	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	115.4440	0.673	2	115.4440	0.453	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.9120	0.000	1	115.5083	0.202	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	114.9885	0.202	2	115.5083	0.202	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.8530	0.000	1	115.5083	0.202	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.4945	0.045	2	115.5083	0.202	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|O<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.1660	0.000	1	115.5083	0.202	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.1690	0.000	1	115.5083	0.202	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|P<4>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.4805	0.063	2	115.4805	0.004	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.4355	0.249	8	115.4448	0.052	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.4820	0.173	2	115.4448	0.052	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.0250	0.000	1	116.0250	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	116.1060	0.000	1	116.1060	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.5665	0.070	2	116.5665	0.005	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	115.8735	0.254	2	115.6943	0.129	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	115.3360	0.000	1	115.6943	0.129	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.4190	0.000	1	115.4190	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	116.1130	0.000	1	116.1745	0.008	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	116.2360	0.000	1	116.1745	0.008	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.4310	0.000	1	115.7185	0.165	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.0060	0.000	1	115.7185	0.165	2	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	114.9340	0.148	2	115.5855	0.283	34	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.5070	0.051	2	115.5855	0.283	34	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.7545	0.134	2	115.5855	0.283	34	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.6256	0.556	28	115.5855	0.283	34	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	H(C[6a]N[6a]2)	115.2710	0.000	1	115.2710	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	115.9150	0.000	1	115.9150	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	H(C[6a]N[6a]2)	116.0620	0.000	1	115.6450	0.169	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	115.4365	0.278	2	115.6450	0.169	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.4613	0.186	3	115.4613	0.035	3	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]N[6a]2)	115.7170	0.023	2	115.7428	0.019	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	115.6185	0.021	2	115.7428	0.019	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]N[6a]2)	115.8178	0.163	4	115.7428	0.019	8	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	116.3550	0.000	1	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,3|C<3>}	H(C[6a]N[6a]2)	116.7030	0.190	2	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.9660	0.000	1	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){4|C<3>}	H(C[6a]N[6a]2)	116.3640	0.000	1	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.6239	1.070	18	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.8710	0.000	1	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.2612	1.171	5	115.8793	1.025	29	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|F<1>}	H(C[6a]N[6a]2)	116.5480	0.000	1	116.1898	0.160	20	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.7907	0.101	3	116.1898	0.160	20	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.2367	0.343	12	116.1898	0.160	20	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.2590	0.601	4	116.1898	0.160	20	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]N[6a]2)	115.4910	0.000	1	115.4910	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.4970	0.000	1	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.6760	0.000	1	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<2>,1|C<3>}	H(C[6a]N[6a]2)	116.1570	0.206	2	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.3000	0.154	5	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	119.9703	6.130	3	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	H(C[6a]N[6a]2)	115.7670	0.000	1	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.0140	0.167	5	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.6270	0.028	2	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	116.4940	0.037	2	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	H(C[6a]N[6a]2)	116.7975	0.008	2	116.6905	4.987	24	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|F<1>}	H(C[6a]N[6a]2)	116.6100	0.000	1	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.8625	0.149	4	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]N[6a]2)	116.4020	0.000	1	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.3890	0.000	1	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.9895	0.145	2	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.8730	0.000	1	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|B<3>,1|C<3>}	H(C[6a]N[6a]2)	116.9985	1.040	2	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]N[6a]2)	116.4965	0.508	2	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>}	H(C[6a]N[6a]2)	116.6075	0.189	10	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.8350	0.329	20	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.3583	0.740	50	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	116.3020	0.605	4	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Pd<4>,1|C<3>}	H(C[6a]N[6a]2)	116.0400	0.075	2	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.4768	1.128	82	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]N[6a]2)	116.6027	0.254	3	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.1759	0.343	15	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	116.3710	0.000	1	116.4407	0.729	201	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]N[6a]2)	116.3770	0.000	1	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.4630	0.000	1	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.9845	0.193	2	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	115.1217	0.047	3	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[6a]2)	115.3220	0.127	2	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.4500	0.000	1	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]N[6a]2)	116.2587	0.361	4	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	H(C[6a]N[6a]2)	115.0850	0.000	1	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	115.7074	0.151	10	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|F<1>}	H(C[6a]N[6a]2)	115.5710	0.025	2	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.6404	0.301	18	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]N[6a]2)	115.9105	0.043	2	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.3043	0.763	3	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Cl<1>,1|C<3>}	H(C[6a]N[6a]2)	115.9225	0.321	4	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	115.7390	0.000	1	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	H(C[6a]N[6a]2)	116.2040	0.231	2	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.2383	0.286	3	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	110.0695	9.169	2	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|O<2>}	H(C[6a]N[6a]2)	116.7890	0.000	1	115.5769	2.548	63	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.3457	3.064	7	116.2717	6.297	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	115.7170	0.000	1	116.2717	6.297	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	H(C[6a]N[6a]2)	116.3020	0.000	1	116.2717	6.297	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	116.2780	0.000	1	116.2717	6.297	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.9590	0.006	2	115.7347	0.071	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.6706	0.269	7	115.7347	0.071	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<2>,1|C<3>,2|C<4>}	H(C[6a]N[6a]2)	115.0560	0.000	1	115.6810	0.264	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]N[6a]2)	115.4200	0.000	1	115.6810	0.264	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[6a]2)	115.5530	0.000	1	115.6810	0.264	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	116.0080	0.000	1	115.6810	0.264	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	H(C[6a]N[6a]2)	116.3680	0.000	1	115.6810	0.264	5	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.8550	0.000	1	116.1776	0.808	26	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	116.4180	0.000	1	116.1776	0.808	26	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.0055	0.151	2	116.1776	0.808	26	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.9962	0.145	5	116.1776	0.808	26	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.2561	1.107	17	116.1776	0.808	26	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	115.9490	0.000	1	116.1822	0.980	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|S<4>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]N[6a]2)	116.2114	1.054	8	116.1822	0.980	9	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H){1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	116.4797	1.378	4	116.4797	1.898	4	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H){1|C<3>}	H(C[6a]N[6a]2)	116.4440	0.000	1	116.4440	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	H(C[6a]N[6a]2)	116.5480	0.000	1	116.3787	1.290	7	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	H(C[6a]N[6a]2)	116.6030	0.088	2	116.3787	1.290	7	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	H(C[6a]N[6a]2)	116.1040	0.000	1	116.3787	1.290	7	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	H(C[6a]N[6a]2)	116.2643	1.935	3	116.3787	1.290	7	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S){1|C<3>}	H(C[6a]N[6a]2)	116.0970	0.000	1	116.0970	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)2	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)2{1|C<3>}	H(C[6a]N[6a]2)	116.5720	0.148	2	117.1250	0.211	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)2	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(H){1|N<2>,2|H<1>}	N[6a](C[6a]N[6a]H)2{1|C<3>}	H(C[6a]N[6a]2)	117.2632	0.398	8	117.1250	0.211	10	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]N[6a]2)	114.9540	0.000	1	114.9540	0.000	1	115.9311	1.052	782	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H){1|N<3>,3|N<2>}	H(C[6a]N[6a]2)	115.7370	0.000	1	115.7370	0.000	1	115.7370	0.000	1	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	114.9830	0.000	1	114.9830	0.000	1	117.0880	6.818	3	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,3|N<2>}	H(C[6a]N[6a]2)	120.0100	0.000	1	118.1405	6.990	2	117.0880	6.818	3	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){4|N<2>}	H(C[6a]N[6a]2)	116.2710	0.000	1	118.1405	6.990	2	117.0880	6.818	3	115.8011	0.862	1197	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<4>}	H(C[6a]C[6a]N[6a])	118.4120	0.000	1	118.3070	0.022	2	118.3070	0.022	2	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.2020	0.000	1	118.3070	0.022	2	118.3070	0.022	2	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[6a]N[6a])	117.0420	0.000	1	117.0420	0.000	1	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]F)(H)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.9450	0.000	1	118.9450	0.000	1	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7585	0.204	25	117.6070	0.433	98	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5553	0.766	69	117.6070	0.433	98	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7420	0.000	1	117.6070	0.433	98	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.6655	0.176	2	117.6070	0.433	98	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1340	0.000	1	117.6070	0.433	98	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.5200	0.513	2	117.5127	0.132	3	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4980	0.000	1	117.5127	0.132	3	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9040	0.093	3	117.7411	0.258	11	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.3250	0.000	1	117.7411	0.258	11	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8736	0.243	7	117.7411	0.258	11	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.0425	1.285	2	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8770	0.000	1	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	115.2490	0.000	1	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.3200	0.000	1	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	114.8350	2.479	2	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1727	0.645	6	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.1082	2.867	4	116.9218	3.698	17	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8590	0.000	1	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.4525	0.242	4	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5380	0.000	1	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.3990	0.000	1	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.7683	0.643	29	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4510	0.000	1	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.0620	0.000	1	117.6947	0.344	38	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.5720	0.199	2	118.4277	0.082	3	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1390	0.000	1	118.4277	0.082	3	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.1570	0.121	4	118.1570	0.015	4	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.7200	0.000	1	117.3560	0.355	3	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6740	0.322	2	117.3560	0.355	3	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9750	0.000	1	117.9750	0.000	1	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3405	0.407	2	118.3405	0.165	2	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.4310	0.000	1	116.4310	0.000	1	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	116.8860	0.117	2	116.8860	0.014	2	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8933	0.380	3	117.6983	0.481	8	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	118.0590	0.599	3	117.6983	0.481	8	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.8645	0.685	2	117.6983	0.481	8	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.6408	0.679	6	117.5513	2.652	18	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.0065	1.708	12	117.5513	2.652	18	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|Se<2>,1|C<3>}	N[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.8065	1.121	2	118.8065	1.256	2	117.6018	0.888	213	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.6500	0.304	2	116.9715	0.188	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4650	0.000	1	116.9715	0.188	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.1210	0.000	1	116.9715	0.188	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|C<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.9330	0.000	1	116.9330	0.000	1	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0340	0.236	2	118.3280	0.060	30	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2733	0.241	11	118.3280	0.060	30	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4086	0.241	10	118.3280	0.060	30	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3350	0.237	4	118.3280	0.060	30	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4420	0.321	2	118.3280	0.060	30	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.4560	0.000	1	118.3280	0.060	30	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.8840	0.000	1	116.8840	0.000	1	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.9470	0.000	1	116.8825	0.008	2	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.8180	0.000	1	116.8825	0.008	2	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5290	0.000	1	117.5290	0.000	1	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5780	0.000	1	117.4935	0.003	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4653	0.004	3	117.4935	0.003	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5720	0.000	1	117.0017	0.284	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.7165	0.284	2	117.0017	0.284	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[6a]N[6a])	116.8810	0.171	2	116.8810	0.029	2	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]F)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3510	0.210	4	118.3510	0.044	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1560	0.381	7	118.1560	0.145	7	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.0946	1.443	9	117.0946	2.082	9	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7110	0.000	1	117.7110	0.000	1	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4305	0.166	2	117.4640	0.017	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5310	0.000	1	117.4640	0.017	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3800	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5154	0.338	5	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6340	0.119	5	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6553	0.220	3	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|B<5>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5380	0.284	5	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	H(C[6a]C[6a]N[6a])	116.2173	1.296	4	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5900	0.752	2	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7300	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8240	0.124	4	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6620	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.5604	0.898	13	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7985	0.257	6	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8720	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0600	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8201	0.153	26	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6870	0.595	33	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	114.8590	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.1895	1.274	4	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6140	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0310	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.1560	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.3160	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6340	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	112.2190	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6005	0.285	2	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6980	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1450	0.000	1	117.5727	0.655	126	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0320	0.000	1	117.9140	0.060	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8550	0.314	2	117.9140	0.060	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7110	0.000	1	117.7430	0.016	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.5710	0.000	1	117.7430	0.016	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7035	0.033	2	117.7430	0.016	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9740	0.000	1	117.7430	0.016	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7990	0.000	1	117.7430	0.016	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7422	0.133	5	117.7430	0.016	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.8806	1.018	5	117.4441	0.488	20	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	116.7290	0.000	1	117.4441	0.488	20	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5260	0.000	1	117.4441	0.488	20	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8186	0.331	11	117.4441	0.488	20	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.1095	0.385	2	117.4441	0.488	20	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.1557	0.346	3	117.1557	0.120	3	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.3255	0.053	2	117.3255	0.003	2	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1200	0.000	1	118.4726	1.014	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.1560	0.093	2	118.4726	1.014	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5959	1.176	8	118.4726	1.014	11	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7740	0.000	1	117.7740	0.000	1	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.3455	0.110	4	118.3455	0.012	4	117.6856	0.641	253	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4860	0.567	2	117.4860	0.322	2	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7580	0.000	1	117.7580	0.000	1	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2270	0.000	1	118.2270	0.000	1	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1770	0.074	5	117.9207	0.111	33	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9103	0.245	23	117.9207	0.111	33	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4090	1.160	2	117.9207	0.111	33	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8510	0.000	1	117.9207	0.111	33	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.8820	0.000	1	117.9207	0.111	33	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0110	0.000	1	117.9207	0.111	33	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.2410	0.000	1	118.1108	0.221	10	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3533	0.142	3	118.1108	0.221	10	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1938	0.157	5	118.1108	0.221	10	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	116.8380	0.000	1	118.1108	0.221	10	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.0520	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2940	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.3690	0.075	2	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.3460	0.229	3	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6470	0.039	3	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.3900	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4954	0.106	5	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7670	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8210	0.181	5	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.9200	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9472	0.657	5	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7415	0.701	2	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.3570	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	116.8480	0.164	4	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.6593	0.277	3	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8580	0.000	1	117.7571	0.555	39	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.2170	0.069	2	118.2170	0.005	2	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.0360	0.327	2	118.0360	0.107	2	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.0250	0.000	1	118.0250	0.000	1	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6010	0.000	1	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1660	0.000	1	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4220	0.000	2	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.4020	0.000	1	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7510	0.255	2	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7380	0.000	1	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5495	1.558	2	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2495	0.012	2	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7080	0.000	1	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	114.1070	0.000	1	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7168	0.363	6	117.5984	0.936	20	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8250	0.000	1	118.5158	0.199	5	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	H(C[6a]C[6a]N[6a])	118.8505	0.207	2	118.5158	0.199	5	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6a]C[6a]N[6a])	118.3680	0.000	1	118.5158	0.199	5	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6850	0.000	1	118.5158	0.199	5	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H){3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8610	0.000	1	117.8610	0.000	1	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|Mo<9>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4975	0.107	8	118.3325	0.517	10	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.6725	1.867	2	118.3325	0.517	10	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7350	0.000	1	117.8790	2.652	3	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4510	2.051	2	117.8790	2.652	3	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.1432	0.146	6	119.1432	0.021	6	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.5990	4.179	2	118.5990	17.464	2	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.4860	0.133	2	119.4860	0.018	2	117.9779	0.685	140	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.7083	0.342	3	116.8825	0.199	4	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[6a]N[6a])	117.4050	0.000	1	116.8825	0.199	4	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.2670	0.020	2	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.5860	0.000	2	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1883	0.166	6	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.5980	0.000	1	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<3>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.6010	0.000	1	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.9400	0.000	1	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1517	0.096	3	117.2769	0.051	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.8290	0.000	1	116.8290	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.4897	0.040	3	118.4897	0.002	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3920	0.000	1	118.4910	0.020	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5900	0.000	1	118.4910	0.020	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2720	0.000	1	118.8800	0.364	4	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.3890	0.194	2	118.8800	0.364	4	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.4700	0.000	1	118.8800	0.364	4	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.0625	0.040	2	117.7206	0.414	7	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6885	0.117	2	117.7206	0.414	7	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5110	0.556	2	117.7206	0.414	7	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[6a]N[6a])	117.5200	0.000	1	117.7206	0.414	7	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.6740	0.000	1	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7203	0.472	3	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.1908	0.632	4	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2810	0.000	1	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.3100	0.000	1	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4539	0.416	8	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.7066	0.605	7	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.9220	0.000	1	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	115.9614	2.353	5	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.4930	0.000	1	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1300	0.296	2	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0610	0.000	1	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.8328	0.114	4	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.3612	0.322	5	117.0783	0.958	44	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.6448	0.234	4	117.7084	0.061	5	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[6a]N[6a])	117.9630	0.000	1	117.7084	0.061	5	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.1560	0.265	6	118.1560	0.070	6	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0945	0.173	2	118.0945	0.030	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.7730	0.038	2	117.8121	0.030	10	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8219	0.195	8	117.8121	0.030	10	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0895	0.140	6	118.0895	0.020	6	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7880	0.215	2	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8025	0.052	2	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7915	0.897	418	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9308	0.188	4	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9970	0.000	1	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.2046	1.849	47	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8160	0.065	2	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Pt<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.5450	0.000	1	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7719	0.412	14	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.1730	0.000	1	117.7348	1.042	492	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2670	0.184	2	118.0867	0.114	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7260	0.000	1	118.0867	0.114	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9195	0.008	2	117.9936	0.649	110	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0094	0.851	98	117.9936	0.649	110	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7852	0.157	4	117.9936	0.649	110	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.7693	0.077	3	117.9936	0.649	110	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0293	0.095	3	117.9936	0.649	110	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4690	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4650	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1070	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4683	0.543	3	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5553	1.116	73	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5780	0.123	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9780	0.095	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6427	0.126	3	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8625	0.094	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6043	0.080	3	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6340	0.018	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2113	0.898	3	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5615	1.305	31	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7020	0.106	3	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.2900	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9290	0.163	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6197	0.705	13	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8795	0.580	297	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9150	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7577	0.952	130	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9640	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.3910	0.011	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5705	0.551	20	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.5682	0.658	27	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7993	0.527	3	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8465	1.095	112	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8510	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.6700	0.660	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.2360	0.433	4	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.8841	0.461	50	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.0585	0.245	10	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7410	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4150	0.074	2	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9980	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8150	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6684	0.187	8	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0287	0.242	9	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7990	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5290	0.000	1	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7133	0.541	47	117.7061	0.687	877	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.0043	0.338	3	118.0043	0.114	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	115.5520	0.864	4	115.5520	0.747	4	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.4730	0.027	2	118.4730	0.001	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7381	0.370	9	117.6135	0.536	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4654	0.810	37	117.6135	0.536	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9626	0.239	8	117.6135	0.536	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3970	1.096	2	117.6135	0.536	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1980	0.000	1	118.1980	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8797	0.304	3	117.8797	0.092	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0077	0.213	3	118.0077	0.045	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8810	0.096	2	117.6686	0.086	17	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9470	0.000	1	117.6686	0.086	17	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6184	0.299	14	117.6686	0.086	17	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4380	0.000	1	117.4380	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4090	0.000	1	117.4090	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.1923	0.321	3	117.5555	0.161	8	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8350	0.369	2	117.5555	0.161	8	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|Se<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6900	0.000	1	117.5555	0.161	8	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4910	0.000	1	117.5555	0.161	8	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0160	0.000	1	117.5555	0.161	8	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	120.5940	0.000	1	118.5997	0.434	19	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4087	0.213	3	118.5997	0.434	19	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.0530	0.276	2	118.5997	0.434	19	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3104	0.432	11	118.5997	0.434	19	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.0270	0.010	2	118.5997	0.434	19	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.4980	0.000	1	119.4980	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.5630	0.000	1	119.5630	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.9710	0.000	1	118.9710	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.2910	1.885	2	117.2910	3.554	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.7138	0.475	24	118.6291	10.661	36	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.4596	5.779	12	118.6291	10.661	36	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6159	0.370	56	118.6159	0.137	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.9750	0.000	1	118.5003	0.496	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.9080	0.340	4	118.5003	0.496	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.1360	0.000	1	118.5003	0.496	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4654	0.721	50	118.5003	0.496	56	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7450	0.000	1	118.8200	0.011	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.8950	0.000	1	118.8200	0.011	2	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	121.9330	0.000	1	118.8598	1.231	13	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6037	0.642	12	118.8598	1.231	13	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.4230	0.000	1	116.4230	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5010	0.000	1	119.0408	0.267	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.1435	0.324	15	119.0408	0.267	16	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7737	0.205	3	118.7737	0.042	3	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.8320	0.000	1	118.8320	0.000	1	117.8132	1.022	1899	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.3970	0.000	1	117.2915	0.022	2	116.4583	2.094	3	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.1860	0.000	1	117.2915	0.022	2	116.4583	2.094	3	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	114.7920	0.000	1	114.7920	0.000	1	116.4583	2.094	3	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|S<2>,3|C<3>}	H(C[6a]N[6a]2)	116.6070	0.000	1	116.6070	0.000	1	117.6240	1.453	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	117.2561	0.943	13	117.6703	1.471	22	117.6240	1.453	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]N[6a]2)	119.1472	1.213	5	117.6703	1.471	22	117.6240	1.453	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	117.3100	0.000	1	117.6703	1.471	22	117.6240	1.453	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]N[6a]2)	117.4300	0.000	1	117.6703	1.471	22	117.6240	1.453	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]N[6a]2)	116.9705	0.132	2	117.6703	1.471	22	117.6240	1.453	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	116.9310	0.000	1	116.8797	0.002	3	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]N[6a]2)	116.8540	0.014	2	116.8797	0.002	3	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	117.1470	0.000	1	117.1470	0.000	1	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]N[6a]2)	117.3350	0.000	1	117.3350	0.000	1	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[6a]2)	119.3010	0.000	1	117.5699	1.108	16	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	116.9730	0.000	1	117.5699	1.108	16	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	117.4857	1.091	12	117.5699	1.108	16	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	117.7170	0.000	1	117.5699	1.108	16	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[6a]2)	117.2990	0.000	1	117.5699	1.108	16	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]Pt)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]Pt)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Pt<4>,1|C<4>,1|N<2>,2|C<3>}	H(C[6a]N[6a]2)	115.5330	0.000	1	115.5330	0.000	1	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){1|S<4>,3|C<3>}	H(C[6a]N[6a]2)	117.7880	0.000	1	117.7880	0.000	1	117.3722	0.981	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,4|C<3>}	H(C[6a]N[6a]2)	124.4590	0.000	1	124.4590	0.000	1	124.4590	0.000	1	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[6a]2)	116.8186	0.107	5	116.8186	0.011	5	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.9996	0.260	11	116.9792	0.067	12	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|C<4>,3|C<3>}	H(C[6a]N[6a]2)	116.7550	0.000	1	116.9792	0.067	12	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[6a]2)	116.1470	0.000	2	116.1470	0.000	2	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]N[6a]2)	117.2980	0.000	1	117.2123	0.009	3	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[6a]2)	117.1695	0.086	2	117.2123	0.009	3	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]N[6a]2)	117.3010	0.000	1	117.3010	0.000	1	116.9163	0.113	23	117.7799	0.982	2580	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	2:3:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.0210	0.066	2	117.0210	0.004	2	117.0210	0.004	2	117.0210	0.004	2	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[5,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H)	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])	H(C[6a]C[5,6,6a]N[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6,6a]N[6a])	116.2040	1.450	2	116.2040	2.101	2	116.2040	2.101	2	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	117.7510	0.000	1	116.3240	2.695	3	116.3240	2.695	3	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	115.6105	1.528	2	116.3240	2.695	3	116.3240	2.695	3	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|Br<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.0830	0.000	1	117.8097	0.088	7	117.8097	0.088	7	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.7670	0.000	1	117.8097	0.088	7	117.8097	0.088	7	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.7636	0.332	5	117.8097	0.088	7	117.8097	0.088	7	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a])(H)	N[6a](C[6a]C[6a,6a]H)(O[6a]B[6a])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a])(H){1|B<3>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(O[6a]B[6a]){1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.3020	0.000	1	115.3020	0.000	1	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5840	0.000	1	117.7790	0.076	2	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9740	0.000	1	117.7790	0.076	2	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3550	0.308	2	117.1495	3.057	27	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.8878	1.893	21	117.1495	3.057	27	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1725	0.001	2	117.1495	3.057	27	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6690	0.853	2	117.1495	3.057	27	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.5725	0.081	2	118.9527	0.437	3	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.7130	0.000	1	118.9527	0.437	3	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H){1|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	119.0045	0.108	2	119.0045	0.012	2	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.1584	0.962	5	118.6065	2.567	6	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	115.8470	0.000	1	118.6065	2.567	6	117.5708	2.989	41	117.4549	2.600	54	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H){1|N<2>,4|C<3>}	H(C[6a]C[5,6a]N[6a])	118.8060	0.000	1	118.8060	0.000	1	118.5955	0.089	2	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]N[6a])	118.3850	0.000	1	118.3850	0.000	1	118.5955	0.089	2	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]N[6a])	118.7550	0.000	1	118.7550	0.000	1	118.8567	0.119	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|Cl<1>,1|C<4>,3|C<3>}	H(C[6a]C[5,6a]N[6a])	118.5740	0.000	1	118.9075	0.222	2	118.8567	0.119	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]N[6a])	119.2410	0.000	1	118.9075	0.222	2	118.8567	0.119	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<4>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	118.5425	0.169	2	118.3005	0.091	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<3>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	118.0585	0.095	2	118.3005	0.091	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[5,6a]N[6a])	119.3830	0.000	1	119.2887	0.053	3	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]C[5,6a]N[6a])	119.0260	0.000	1	119.2887	0.053	3	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]C[5,6a]N[6a])	119.4570	0.000	1	119.2887	0.053	3	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5,6a]N[6a])	119.3740	0.000	1	117.9350	1.630	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	118.4870	0.000	1	117.9350	1.630	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	116.9395	0.729	2	117.9350	1.630	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	118.6440	0.000	1	118.6440	0.000	1	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]C[5,6a]N[6a])	119.6835	0.238	2	119.6835	0.057	2	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	H(C[6a]C[5,6a]N[6a])	118.9130	0.000	1	118.9130	0.000	1	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]C[5,6a]N[6a])	120.6480	1.747	2	120.6480	3.050	2	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	H(C[6a]C[5,6a]N[6a])	120.5090	0.000	1	120.0387	0.576	3	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	H(C[6a]C[5,6a]N[6a])	119.8035	0.906	2	120.0387	0.576	3	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<4>}	H(C[6a]C[5,6a]N[6a])	118.6560	0.109	2	118.3885	0.273	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	H(C[6a]C[5,6a]N[6a])	118.1210	0.723	2	118.3885	0.273	4	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|N<2>,2|O<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|S<4>}	H(C[6a]C[5,6a]N[6a])	119.9180	0.000	1	119.9180	0.000	1	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H){1|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	118.0435	0.091	2	118.0435	0.008	2	118.9149	1.185	27	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.9540	0.000	1	118.9540	0.000	1	118.9540	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.9855	0.114	2	118.3497	0.098	6	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.5318	0.163	4	118.3497	0.098	6	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.9510	0.000	1	118.4035	0.410	2	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.8560	0.000	1	118.4035	0.410	2	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.7450	1.045	2	118.4810	1.091	4	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.3030	0.000	1	118.4810	1.091	4	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|S<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.1310	0.000	1	118.4810	1.091	4	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.5720	0.000	1	117.7268	0.046	5	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.6055	0.115	2	117.7268	0.046	5	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.7870	0.000	1	117.7268	0.046	5	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.0640	0.000	1	117.7268	0.046	5	118.2037	0.376	17	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)2	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)2{3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.8343	0.098	3	118.8343	0.010	3	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.5150	0.000	1	118.5150	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl){1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	120.0140	0.000	1	120.0140	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|Br<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.3920	0.000	1	118.3920	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.6750	0.143	2	118.3416	0.402	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.1193	0.781	3	118.3416	0.402	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.5830	0.000	1	118.5440	0.231	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.3827	0.569	3	118.5440	0.231	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.9890	0.000	1	118.5440	0.231	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.7785	0.402	2	119.7785	0.162	2	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|C<3>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.6490	0.000	1	118.6490	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	115.5490	1.707	3	116.5724	3.982	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	118.1075	1.498	2	116.5724	3.982	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	119.9790	0.000	1	119.9790	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	119.5370	0.000	1	118.9547	0.813	3	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	118.6635	1.057	2	118.9547	0.813	3	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.6860	0.000	1	119.6860	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	119.1780	0.033	2	119.1780	0.001	2	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	120.6000	0.000	1	120.6000	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	H(C[6a]C[5a,6a]N[6a])	119.6738	0.168	5	119.6738	0.028	5	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6]){1|C<3>,1|N<3>,2|C<4>}	H(C[6a]C[5a,6a]N[6a])	119.8260	0.038	2	119.8260	0.001	2	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.9245	0.241	2	119.9245	0.058	2	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.9650	0.000	1	118.9650	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]N[6a])	118.9360	0.000	1	118.9360	0.000	1	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	118.9570	0.000	1	118.6135	0.074	4	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]N[6a])	118.4990	0.179	3	118.6135	0.074	4	118.8219	1.411	47	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H)	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]N[6a])	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6,6,6a]N[6a])	116.9490	0.000	1	116.9490	0.000	1	117.9769	2.843	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H)	H(C[6a]C[6,6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6,6,6a]N[6a])	117.7070	0.276	2	117.7070	0.076	2	117.9769	2.843	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6,6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6,6,6a]N[6a])	118.2110	2.149	8	118.1816	4.048	9	117.9769	2.843	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6,6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6,6,6a]N[6a])	117.9460	0.000	1	118.1816	4.048	9	117.9769	2.843	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)	H(C[6a]C[6,6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6,6,6a]N[6a])	117.7030	0.000	1	117.7030	0.000	1	117.9769	2.843	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6,6a]N[6a])	117.9150	0.000	1	117.9150	0.000	1	117.9150	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6,6a]N[6a])	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H){5|C<3>}	H(C[6a]C[6,6a]N[6a])	117.8380	0.000	1	117.8380	0.000	1	118.7400	2.384	4	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[6,6a]N[6a])	118.0365	0.131	2	119.0407	3.034	3	118.7400	2.384	4	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[6,6a]N[6a])	121.0490	0.000	1	119.0407	3.034	3	118.7400	2.384	4	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)2	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]H)2{3|C<3>}	H(C[6a]C[6,6a]N[6a])	115.1105	0.844	2	115.1105	0.712	2	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	117.4465	0.087	2	117.4465	0.008	2	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6,6a]N[6a])	117.1690	0.186	3	117.6970	0.273	8	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	117.6960	0.000	1	117.6970	0.273	8	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	117.6030	0.000	1	117.6970	0.273	8	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6,6a]N[6a])	118.2567	0.171	3	117.6970	0.273	8	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]C[6,6a]N[6a])	118.1910	0.188	2	118.1910	0.035	2	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	H(C[6a]C[6,6a]N[6a])	117.8770	0.000	1	117.9603	0.005	3	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]C[6,6a]N[6a])	118.0020	0.000	2	117.9603	0.005	3	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|O<2>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O){2|C<3>}	H(C[6a]C[6,6a]N[6a])	117.9610	0.000	1	117.9610	0.000	1	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H){2|C<3>,2|C<4>}	H(C[6a]C[6,6a]N[6a])	117.9100	0.000	1	117.9100	0.000	1	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6,6a]N[6a])	118.0810	0.000	1	118.0810	0.000	1	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H){1|C<3>,1|N<3>,2|C<4>}	H(C[6a]C[6,6a]N[6a])	117.9460	0.000	1	117.9460	0.000	1	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6,6a]N[6a])	117.9160	0.000	1	118.0113	0.023	3	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6,6a]N[6a])	117.9330	0.000	1	118.0113	0.023	3	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6,6a]N[6a])	118.1850	0.000	1	118.0113	0.023	3	117.6202	0.757	24	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])(H){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.8760	0.000	1	116.8760	0.000	1	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2990	0.000	1	117.2990	0.000	1	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2520	0.000	1	117.2520	0.000	1	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){1|N<2>,3|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.3545	0.088	2	117.3810	0.006	3	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|O<2>,2|C<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4340	0.000	1	117.3810	0.006	3	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.7190	0.000	1	117.7190	0.000	1	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H){4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.1860	0.000	1	117.1860	0.000	1	117.3094	0.057	8	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H){1|Ru<7>,1|C<4>,3|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.0440	0.000	1	117.0440	0.000	1	117.0440	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.7200	0.000	1	117.7200	0.000	1	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2080	0.000	1	117.4325	0.101	2	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6570	0.000	1	117.4325	0.101	2	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4425	0.118	2	117.8172	0.484	28	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.9602	0.803	19	117.8172	0.484	28	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|N<3>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6557	0.056	4	117.8172	0.484	28	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2050	0.000	1	117.8172	0.484	28	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.5990	0.000	1	117.8172	0.484	28	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.3250	0.000	1	117.8172	0.484	28	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.3309	0.364	10	117.4135	0.194	11	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.2400	0.000	1	117.4135	0.194	11	117.6908	0.403	42	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2{3|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.0744	0.287	20	118.0744	0.083	20	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2{1|C<3>,2|N<2>}	H(C[6a]C[6a,6a]N[6a])	118.1515	0.107	2	118.1515	0.011	2	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H){5|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6180	0.000	1	117.6180	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.9710	0.000	1	117.9710	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[6a,6a]N[6a])	117.3280	0.000	1	117.3280	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2040	0.000	1	117.2040	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|F<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.8370	0.000	1	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.3460	0.000	1	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6140	0.249	2	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.3310	0.000	1	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2435	0.008	2	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4930	0.000	1	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6140	0.000	1	117.3707	0.072	9	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6000	0.000	1	117.8560	0.096	5	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.9000	0.000	1	117.8560	0.096	5	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.9267	0.388	3	117.8560	0.096	5	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.2570	0.000	1	117.2570	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.1930	0.000	1	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.9500	0.000	1	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.4600	0.000	1	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.8980	0.000	1	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.0570	0.000	1	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.5830	0.000	1	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.7323	1.361	3	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.1137	0.233	3	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.5058	0.160	4	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.6859	3.839	15	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6117	0.149	11	117.9695	5.568	42	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.7690	0.250	2	117.7690	0.063	2	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6890	0.000	1	117.6890	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C){2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.5040	0.000	1	118.5040	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a,6a]N[6a])	118.7210	0.000	1	118.7210	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.1890	0.000	1	118.2695	0.013	2	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.3500	0.000	1	118.2695	0.013	2	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6690	0.000	1	118.0575	0.302	2	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.4460	0.000	1	118.0575	0.302	2	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5]){2|C<3>,2|C<4>}	H(C[6a]C[6a,6a]N[6a])	117.5560	0.000	1	117.5560	0.000	1	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	H(C[6a]C[6a,6a]N[6a])	118.0388	0.107	8	118.0388	0.012	8	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|C<3>,2|N<2>}	H(C[6a]C[6a,6a]N[6a])	118.6140	0.000	1	118.1547	0.088	7	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.1660	0.152	4	118.1547	0.088	7	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.6600	0.000	1	118.1547	0.088	7	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	H(C[6a]C[6a,6a]N[6a])	118.1450	0.000	1	118.1547	0.088	7	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a,6a]N[6a])	116.3015	1.835	2	116.9267	2.856	3	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a,6a]N[6a])	118.1770	0.000	1	116.9267	2.856	3	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a,6a]N[6a])	119.1382	0.227	4	119.1382	0.052	4	117.9556	2.222	115	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.6930	0.000	1	116.5190	0.061	2	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.3450	0.000	1	116.5190	0.061	2	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.5860	0.000	1	116.5860	0.000	1	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.3052	0.338	5	117.3775	0.123	6	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.7390	0.000	1	117.3775	0.123	6	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4170	0.000	1	117.4090	0.000	2	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4010	0.000	1	117.4090	0.000	2	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.6590	1.714	2	116.6590	2.938	2	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,1|S<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S){1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4920	0.000	1	117.4920	0.000	1	117.1084	0.442	14	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.0970	0.205	3	116.1825	0.057	4	116.1825	0.057	4	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.4390	0.000	1	116.1825	0.057	4	116.1825	0.057	4	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.9280	0.000	1	116.9280	0.000	1	116.5763	1.069	10	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<2>,4|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.1160	0.000	1	116.5372	1.186	9	116.5763	1.069	10	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,2|N<2>}	H(C[6a]C[6a,6a]N[6a])	115.3350	2.251	2	116.5372	1.186	9	116.5763	1.069	10	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.7264	0.245	5	116.5372	1.186	9	116.5763	1.069	10	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]N[6a])	117.4170	0.000	1	116.5372	1.186	9	116.5763	1.069	10	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,3|O<2>}	H(C[6a]C[6a,6a]N[6a])	115.7077	0.314	3	115.7077	0.098	3	115.9096	0.126	5	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<3>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]N[6a])	116.2125	0.054	2	116.2125	0.003	2	115.9096	0.126	5	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5,6a])(H)	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5,6a])(H){3|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	106.7780	0.000	1	106.7780	0.000	1	114.4110	43.729	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H)	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.4050	0.000	1	118.4050	0.000	1	114.4110	43.729	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0500	0.000	1	118.0500	0.000	1	114.4110	43.729	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(H){1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8680	0.000	1	117.8680	0.000	1	117.8680	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.2880	0.000	1	117.2880	0.000	1	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5730	0.000	1	117.8930	0.205	2	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.2130	0.000	1	117.8930	0.205	2	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6720	0.000	1	117.6720	0.000	1	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0930	0.000	2	118.0930	0.000	2	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.2330	0.000	1	117.2330	0.000	1	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.0040	0.000	1	119.0040	0.000	1	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6440	0.000	1	118.6440	0.000	1	117.9792	0.358	9	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	115.9590	0.000	1	115.9590	0.000	1	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1968	0.254	10	117.1968	0.064	10	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.4190	0.326	3	117.3505	0.159	6	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.5860	0.000	2	117.3505	0.159	6	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	116.6740	0.000	1	117.3505	0.159	6	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6570	0.000	1	118.7485	0.017	2	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.8400	0.000	1	118.7485	0.017	2	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.6060	0.622	2	117.0853	0.436	4	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5860	0.000	1	117.0853	0.436	4	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5430	0.000	1	117.0853	0.436	4	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	115.8588	3.185	6	115.8588	10.142	6	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.3480	0.000	1	117.3480	0.000	1	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2442	0.095	4	118.2442	0.009	4	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2620	0.000	1	118.0565	0.063	14	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0400	0.000	1	118.0565	0.063	14	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9954	0.225	11	118.0565	0.063	14	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.5400	0.000	1	118.0565	0.063	14	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Fe<10>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1920	0.000	1	118.2035	0.000	2	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Mn<8>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2150	0.000	1	118.2035	0.000	2	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H){2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6230	0.023	2	118.6230	0.001	2	117.4960	1.720	52	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	116.7760	0.000	1	116.7760	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.8880	0.000	1	117.8880	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	113.9010	0.000	1	113.9010	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(H){5|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a]N[6a])	117.0230	0.000	1	117.0230	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.6935	0.059	2	117.6935	0.003	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|F<1>}	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.5340	0.000	1	118.5340	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6340	0.000	1	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4030	0.000	1	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<3>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7500	0.100	2	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7950	0.178	2	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7135	0.405	2	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	H(C[6a]C[6a]N[6a])	117.6590	0.221	2	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<4>}	H(C[6a]C[6a]N[6a])	117.6045	0.261	2	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.6565	0.026	2	117.6710	0.035	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2350	0.000	1	117.2350	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8720	0.000	1	117.8720	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.0210	0.000	1	118.0210	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5830	0.000	1	117.5830	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	115.8770	0.000	1	115.8770	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.0680	0.000	1	118.0680	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.2150	1.497	4	117.5144	0.839	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.7140	0.215	6	117.5144	0.839	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.7525	0.183	2	117.7525	0.034	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7775	0.046	2	117.7775	0.002	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.4900	0.000	1	117.3900	0.020	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.2900	0.000	1	117.3900	0.020	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.8506	1.066	9	116.9396	1.164	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.9750	0.000	1	116.9396	1.164	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	116.9807	1.665	3	116.9396	1.164	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.5830	0.000	1	116.9396	1.164	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7580	0.000	1	117.7580	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	114.2410	0.000	1	114.2410	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	114.6630	0.000	1	114.6630	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	116.6320	0.000	1	116.6320	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.2720	0.000	1	118.2720	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.3835	0.194	2	118.3835	0.038	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5505	1.241	4	118.5505	1.541	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1947	0.163	3	118.1947	0.027	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8210	0.000	1	117.9930	0.059	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1650	0.000	1	117.9930	0.059	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7165	0.173	2	117.0973	1.165	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.8590	0.000	1	117.0973	1.165	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.2210	0.000	1	116.2210	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.7537	0.639	4	118.5367	0.217	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.2490	0.023	2	118.5367	0.217	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.0910	0.000	1	118.5367	0.217	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.5877	0.293	3	118.5367	0.217	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0551	0.324	14	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	118.2867	0.078	4	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4920	0.000	1	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2808	0.222	9	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1347	0.422	8	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9958	0.388	10	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7807	0.347	10	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	118.3365	0.565	2	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1045	0.484	19	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	117.0570	0.151	2	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7495	0.267	2	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	118.1790	0.020	2	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2964	1.384	5	118.0670	0.254	88	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.4500	0.000	1	118.0887	1.538	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|S<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0164	1.372	5	118.0887	1.538	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.7315	0.204	2	118.8023	0.021	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.8730	0.000	2	118.8023	0.021	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9273	0.296	16	118.8826	0.330	25	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0170	0.103	3	118.8826	0.330	25	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.0410	0.000	1	118.8826	0.330	25	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0276	0.868	5	118.8826	0.330	25	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<6>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1410	0.000	1	118.1410	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	113.7420	0.000	1	113.7420	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7904	0.213	5	117.7904	0.045	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.8920	0.000	1	117.8920	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2020	0.000	1	118.2020	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9920	0.286	2	117.9920	0.082	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9830	0.289	3	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.5760	0.000	1	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	117.0590	0.000	1	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7285	0.094	2	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2740	0.000	1	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.2460	0.000	1	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.8673	1.670	3	117.5969	0.818	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9958	0.494	4	117.9958	0.244	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9100	0.000	1	117.9100	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2277	0.403	3	117.3613	0.089	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4615	0.195	4	117.3613	0.089	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a]N[6a])	117.0470	0.000	1	117.0470	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a]N[6a])	118.0510	0.000	1	118.0510	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a]N[6a])	117.5191	0.171	10	117.5191	0.029	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a]N[6a])	116.7160	0.000	1	116.7160	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5267	0.302	4	118.5267	0.091	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[6a]N[6a])	117.9890	0.000	1	117.9890	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.1789	1.664	21	116.9003	3.029	31	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4154	0.422	10	116.9003	3.029	31	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.9350	0.932	6	117.7375	0.544	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.0385	0.344	16	117.7375	0.544	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7750	0.000	1	117.7750	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9150	0.000	1	117.7146	0.647	28	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.8247	0.191	3	117.7146	0.647	28	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.0793	0.280	4	117.7146	0.647	28	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6152	0.928	20	117.7146	0.647	28	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0390	0.000	1	118.0390	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|P<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0940	0.027	2	118.0940	0.001	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|S<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3990	0.000	1	118.3990	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2360	0.000	1	118.2360	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7026	0.605	9	117.6484	0.337	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.1680	0.242	2	117.6484	0.337	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[6a]N[6a])	118.1220	0.000	1	117.6484	0.337	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.1760	0.000	1	117.6632	0.128	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8568	0.354	8	117.6632	0.128	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6910	0.000	1	117.6632	0.128	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5520	0.229	2	117.6632	0.128	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[6a]N[6a])	117.8230	0.016	2	117.6632	0.128	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2677	0.134	3	117.6632	0.128	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.2854	0.523	5	117.2854	0.274	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1090	0.109	2	118.1090	0.012	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8424	0.268	5	117.8424	0.072	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	114.8895	1.989	2	115.8701	2.178	11	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.4412	1.214	6	115.8701	2.178	11	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	H(C[6a]C[6a]N[6a])	117.6880	0.054	2	115.8701	2.178	11	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.7690	0.000	1	115.8701	2.178	11	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.1415	1.486	4	117.2893	1.381	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5850	0.133	2	117.2893	1.381	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	117.7775	0.141	2	118.2404	1.111	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.2169	1.105	48	118.2404	1.111	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.7540	0.093	4	118.2404	1.111	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]C[6a]N[6a])	117.7729	0.249	21	117.7729	0.062	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.8620	0.786	3	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2343	0.987	7	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5240	0.000	1	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7650	0.000	1	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	117.2730	0.151	2	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6211	0.308	9	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	117.6765	0.432	2	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9461	0.529	22	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2940	0.000	1	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6933	0.473	3	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7206	0.669	46	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8980	0.075	2	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5030	0.000	1	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	117.7563	0.257	3	117.7661	0.398	103	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,1|C<4>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[6a]N[6a])	117.9375	0.174	4	117.6031	1.109	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[6a]N[6a])	117.3802	1.352	6	117.6031	1.109	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,3|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	116.1140	0.990	2	116.1140	0.980	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	114.6027	2.662	3	114.6027	7.085	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	116.1710	0.000	1	116.1710	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|B<3>,1|C<3>}	H(C[6a]C[6a]N[6a])	116.4300	0.228	2	116.4300	0.052	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.0260	0.178	2	118.0260	0.032	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4235	0.081	4	117.4235	0.007	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|B<3>,1|C<3>}	H(C[6a]C[6a]N[6a])	117.7680	0.000	2	117.7680	0.000	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6820	0.000	1	118.6820	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	H(C[6a]C[6a]N[6a])	119.2380	0.000	1	119.2380	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5250	0.000	1	118.5250	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.0550	0.000	1	118.9330	0.045	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.9420	0.132	2	118.9330	0.045	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.8630	0.372	2	118.9330	0.045	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.8180	0.000	1	118.7245	0.032	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6933	0.207	3	118.7245	0.032	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6310	0.000	1	118.4005	0.106	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.1700	0.000	1	118.4005	0.106	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.1807	0.302	3	119.1628	0.109	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7800	0.000	1	119.1628	0.109	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.4920	0.000	1	119.1628	0.109	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.8800	0.168	2	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.8365	0.033	2	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.7237	0.308	12	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.7825	0.199	6	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>}	H(C[6a]C[6a]N[6a])	119.1665	0.138	2	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Sn<4>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.7595	0.006	2	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.9040	0.127	2	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.9050	0.180	2	118.8094	0.060	30	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.6880	0.000	1	119.0758	0.119	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.9190	0.059	2	119.0758	0.119	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.9265	0.063	2	119.0758	0.119	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.2720	0.000	1	118.2925	2.403	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	116.8402	2.973	5	118.2925	2.403	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4924	0.871	13	118.2925	2.403	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6060	0.809	2	118.2925	2.403	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.1770	0.000	1	118.2925	2.403	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	119.0855	0.369	4	118.2925	2.403	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.1150	0.119	3	119.1150	0.014	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.7720	0.000	1	118.7720	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.9097	0.330	3	119.3308	0.669	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	119.0830	0.000	1	119.3308	0.669	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	120.0865	1.179	2	119.3308	0.669	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	119.5340	0.212	2	119.5340	0.045	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	119.0389	1.659	8	119.0389	2.753	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.5300	0.000	1	118.5300	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.4690	0.131	3	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.6253	0.881	3	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.7500	0.000	2	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6690	0.143	9	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	119.1671	0.456	8	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.6750	0.065	2	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.5120	0.000	1	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6836	0.290	9	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.8735	0.166	2	118.8949	0.243	39	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7520	0.000	1	118.7520	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	119.0560	0.000	1	118.8260	0.106	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5960	0.000	1	118.8260	0.106	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3324	2.372	8	118.3324	5.625	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.0660	0.201	6	119.0660	0.040	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.3120	0.000	1	118.3120	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	116.7230	2.062	2	118.3767	2.574	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2035	0.373	4	118.3767	2.574	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.1330	0.234	4	118.1330	0.055	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.0127	0.141	3	118.0127	0.020	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.3130	0.144	2	117.2573	0.020	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.1460	0.000	1	117.2573	0.020	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0805	0.077	2	118.0805	0.006	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9085	0.424	39	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6575	0.757	30	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6370	0.000	1	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.9050	0.185	2	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8487	0.344	4	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.3120	0.000	1	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.5310	0.000	1	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[6a]N[6a])	117.7710	0.000	1	117.8432	0.379	79	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.5005	0.161	2	117.6153	0.052	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8450	0.000	1	117.6153	0.052	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.1930	0.000	1	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0240	0.000	1	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9218	0.350	8	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.3430	1.542	6	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.3160	0.000	1	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.0960	1.094	7	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.8955	0.005	2	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.8950	0.081	2	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7760	0.000	1	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.7798	0.841	12	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3036	0.440	5	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9161	0.457	7	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0685	0.194	10	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.3280	0.000	1	117.7390	0.624	64	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.7400	0.000	1	117.4851	0.662	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.7870	0.000	1	117.4851	0.662	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,4|C<4>}	H(C[6a]C[6a]N[6a])	117.8725	0.088	2	117.4851	0.662	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.1690	0.000	1	117.4851	0.662	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8133	0.027	3	117.4851	0.662	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	114.5720	0.000	1	116.7495	9.483	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.9270	0.000	1	116.7495	9.483	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|B<3>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	114.7230	0.000	1	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7210	0.082	2	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7538	0.567	59	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.4045	0.073	2	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.1240	0.030	3	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1110	0.000	1	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9930	0.431	12	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4310	0.284	2	117.7526	0.391	82	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	117.7060	0.000	1	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4080	0.249	3	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2720	0.000	1	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	117.8020	0.245	4	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9580	0.280	2	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.2591	0.782	9	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.1490	0.081	2	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.5690	0.000	1	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4690	0.256	2	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	H(C[6a]C[6a]N[6a])	117.6030	0.000	1	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.6870	0.000	1	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.1665	0.009	2	117.5892	0.334	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7095	0.269	2	117.9427	0.199	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.4090	0.000	1	117.9427	0.199	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6430	0.000	1	118.3516	0.754	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.9403	1.202	3	118.3516	0.754	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8372	0.261	4	118.3516	0.754	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	116.6402	3.532	4	116.6402	12.477	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.0160	0.000	1	118.5326	0.280	31	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.6751	0.264	11	118.5326	0.280	31	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.5267	0.307	4	118.5326	0.280	31	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.5308	0.592	15	118.5326	0.280	31	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	116.6970	0.000	1	117.8159	0.607	19	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.1490	0.000	1	117.8159	0.607	19	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	117.9235	0.158	4	117.8159	0.607	19	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.3350	0.132	6	117.8159	0.607	19	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]C[6a]N[6a])	118.5805	0.565	2	117.8159	0.607	19	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	116.9584	0.801	5	117.8159	0.607	19	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>}	H(C[6a]C[6a]N[6a])	117.9010	0.000	1	116.9470	1.820	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	115.9930	0.000	1	116.9470	1.820	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.4950	0.000	1	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.5170	0.393	3	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1425	0.284	2	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4822	0.592	17	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.2080	0.000	1	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	113.9330	0.000	1	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.2923	0.083	3	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2602	0.221	4	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.3240	0.211	4	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3310	0.350	8	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	116.5690	0.395	2	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9289	1.064	48	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.5118	0.238	5	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8950	1.045	164	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.7717	0.077	3	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1685	0.445	2	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<2>}	H(C[6a]C[6a]N[6a])	117.9921	0.616	8	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.7903	0.984	37	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8533	0.424	4	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|F<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4110	0.000	1	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9305	0.993	430	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2940	0.000	1	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	117.9149	0.555	40	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.0520	0.037	2	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4335	0.223	2	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7361	1.198	10	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.9239	0.144	8	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9627	0.553	9	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Ru<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.9960	0.072	2	117.8950	0.927	822	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9840	0.000	1	117.9840	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.8480	0.000	1	118.1163	0.536	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.3840	0.000	1	118.1163	0.536	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1170	0.000	1	118.1163	0.536	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5300	0.000	1	118.3260	0.049	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.3580	0.000	1	118.3260	0.049	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.0900	0.000	1	118.3260	0.049	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.9295	0.145	2	118.8747	0.020	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.7650	0.000	1	118.8747	0.020	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.4510	0.000	1	117.4510	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.6820	0.091	2	117.6820	0.008	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.8955	0.182	2	118.4140	0.712	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	117.4510	0.000	1	118.4140	0.712	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.9865	0.192	2	117.9865	0.037	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|N<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.3105	0.145	2	118.3105	0.021	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.5037	0.235	3	117.7446	0.095	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.9778	0.198	4	117.7446	0.095	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.5350	0.000	1	117.7446	0.095	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3435	0.135	4	118.3435	0.018	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.3840	0.000	1	117.9032	0.290	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3510	0.000	1	117.9032	0.290	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4930	0.000	1	117.9032	0.290	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3850	0.000	1	117.9032	0.290	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0525	0.121	2	117.9978	1.040	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5520	0.000	2	117.9978	1.040	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2260	0.000	1	117.9978	1.040	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9482	1.203	9	117.9978	1.040	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8460	0.000	1	117.9140	0.172	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1610	0.000	1	117.9140	0.172	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4150	0.000	1	117.9140	0.172	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.5740	0.372	2	117.9140	0.172	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4720	0.919	2	117.6360	0.503	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.9640	0.000	1	117.6360	0.503	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8920	0.000	1	117.8920	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]C[6a]N[6a])	118.3615	0.313	15	118.3615	0.098	15	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7450	0.181	4	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6750	0.008	2	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0390	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.0290	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.6940	0.167	2	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7670	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.4540	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3190	0.021	2	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2985	1.688	6	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	118.3969	0.347	7	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	113.6190	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.0095	0.908	4	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Co<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.0720	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.3930	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	H(C[6a]C[6a]N[6a])	116.0235	0.378	2	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3056	0.960	9	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9310	0.000	1	117.9797	1.709	46	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7575	0.029	2	117.7575	0.001	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	H(C[6a]C[6a]N[6a])	118.6905	0.071	2	118.8155	0.023	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	H(C[6a]C[6a]N[6a])	118.9405	0.050	2	118.8155	0.023	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	H(C[6a]C[6a]N[6a])	118.7325	0.270	4	118.7325	0.073	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9805	0.320	2	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	114.1400	0.000	1	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.5030	0.091	2	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	114.0410	0.000	1	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|O<2>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0050	0.000	1	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0560	0.000	1	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.1290	0.000	1	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8334	0.405	11	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8057	0.269	3	117.4749	1.264	23	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6830	0.000	1	118.8043	0.071	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.8178	0.279	9	118.8043	0.071	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	119.1005	0.296	2	119.1005	0.088	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	119.1334	0.653	5	119.0743	0.330	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6010	0.000	1	119.0743	0.330	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	119.2520	0.000	1	119.0743	0.330	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.0940	0.000	1	119.0255	0.009	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.9570	0.000	1	119.0255	0.009	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.8555	0.029	2	118.8555	0.001	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2120	0.000	1	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	117.8285	0.134	2	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.4313	1.521	3	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.6921	1.771	20	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.0880	0.000	1	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.8120	0.000	1	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.9800	0.000	1	117.8581	2.584	29	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	118.6705	0.046	2	118.7278	0.010	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7030	0.000	1	118.7278	0.010	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.8670	0.000	1	118.7278	0.010	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.9923	0.094	3	118.9923	0.009	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.1630	0.000	1	118.5256	0.509	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.7532	0.216	4	118.5256	0.509	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Cl<1>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.3966	0.808	12	118.5256	0.509	17	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.0630	2.376	3	117.5345	4.654	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.9490	0.000	1	117.5345	4.654	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.1540	0.000	1	119.1540	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	118.2110	0.000	1	118.2110	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	118.9057	0.126	3	118.9210	0.292	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	H(C[6a]C[6a]N[6a])	119.4155	0.223	2	118.9210	0.292	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9780	0.000	1	118.9210	0.292	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|F<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2420	0.000	1	118.9610	0.062	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|F<1>}	H(C[6a]C[6a]N[6a])	118.8205	0.074	2	118.9610	0.062	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.0805	0.032	2	119.0805	0.001	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[6a]C[6a]N[6a])	118.3290	0.000	1	118.3290	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<6>,1|C<3>,1|C<4>}	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	H(C[6a]C[6a]N[6a])	117.6630	0.000	1	117.6630	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9730	0.000	1	117.9730	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.5320	0.000	1	118.5320	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7390	0.467	2	117.7390	0.218	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9850	0.000	1	117.9850	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4263	0.897	3	116.7395	1.594	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.6690	1.285	4	116.7395	1.594	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	114.9610	0.000	1	116.7395	1.594	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8120	0.000	1	116.9966	1.662	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8760	0.000	1	116.9966	1.662	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1120	0.000	1	116.9966	1.662	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	115.5020	0.000	1	116.9966	1.662	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.6810	0.000	1	116.9966	1.662	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8779	1.983	100	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.8523	2.022	3	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7392	0.552	12	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	116.5952	1.563	9	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2750	0.000	1	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1530	0.228	2	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9844	0.885	75	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6924	0.790	52	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6056	1.404	27	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0937	0.270	7	117.7986	2.033	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.4610	0.343	4	118.4610	0.117	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	H(C[6a]C[6a]N[6a])	117.3970	2.576	6	117.3970	6.635	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.2313	0.059	3	118.1816	0.008	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1630	0.000	1	118.1816	0.008	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0510	0.000	1	118.1816	0.008	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4245	0.352	4	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1120	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8457	0.206	7	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	115.7355	0.798	2	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.9501	1.969	35	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9077	0.156	3	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<5>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7600	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.1700	2.035	2	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.8699	1.132	37	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2758	0.166	5	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8949	2.223	16	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4695	0.050	2	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6914	1.011	12	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7720	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.1490	0.096	5	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	119.0857	0.929	3	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9005	1.402	698	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8540	0.124	2	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3840	0.443	2	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0682	1.093	103	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.9968	0.377	6	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9200	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.3678	0.147	4	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.5840	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0540	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	116.3930	0.000	1	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7957	0.507	28	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.5125	0.247	4	117.8683	1.864	987	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|As<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9537	0.207	3	117.9537	0.043	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1113	0.313	10	118.1113	0.098	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.2110	0.000	1	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9130	0.195	2	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	120.0488	2.167	5	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5370	0.167	2	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3187	0.270	6	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2290	0.000	1	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){2|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2140	0.000	1	118.9283	1.712	18	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9207	0.174	3	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2830	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7525	0.218	2	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	115.8760	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.2975	1.252	32	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.6910	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.5931	0.350	12	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.6677	1.061	3	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.4237	0.397	3	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	117.8960	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9467	1.097	844	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9610	0.527	6	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3290	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9230	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.0227	1.694	3	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.7465	0.786	2	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9850	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2050	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6242	0.786	6	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7160	0.392	15	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8660	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1140	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1120	0.257	3	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4925	0.494	2	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3250	0.000	1	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2553	0.299	7	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1235	0.004	2	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.7610	0.233	2	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.5516	0.222	13	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9156	1.071	694	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7218	0.978	10	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.6525	0.122	2	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7412	0.280	8	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4520	0.092	3	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4174	1.402	5	117.9314	1.150	1693	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	114.6640	0.000	1	116.7362	4.078	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1165	0.060	2	116.7362	4.078	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.1490	1.551	4	116.7362	4.078	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9360	0.188	2	116.7362	4.078	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9970	0.000	1	116.7362	4.078	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0115	0.001	2	118.0801	0.100	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0398	0.324	12	118.0801	0.100	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	118.6810	0.014	2	118.0801	0.100	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9420	0.000	1	118.0801	0.100	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|Fe<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9977	0.105	3	118.0801	0.100	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8840	0.000	1	118.0801	0.100	21	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	115.0590	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5307	0.452	3	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.3350	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0410	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.4335	1.119	10	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.1140	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.7200	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.3090	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9670	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8270	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.1920	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.8330	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3035	0.307	8	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.3630	0.370	3	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1600	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.8530	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8296	0.541	11	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.4543	0.064	3	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Re<8>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9930	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1010	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<8>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7280	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[6a]N[6a])	117.8475	0.172	2	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.5430	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1243	0.269	7	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8935	1.117	112	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0358	0.182	6	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2116	0.251	14	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9410	0.093	2	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.7865	0.390	2	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.1563	0.751	22	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	H(C[6a]C[6a]N[6a])	118.0710	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9160	0.225	4	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9164	0.252	7	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1989	0.445	7	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0610	0.618	2	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1412	0.413	4	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0557	0.515	3	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2955	0.128	2	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.7360	0.000	1	118.0045	0.776	252	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0000	0.054	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.9240	0.308	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	114.6025	1.830	6	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.6662	0.954	15	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0757	0.111	3	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.0605	0.095	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.3770	0.047	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5065	0.204	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	H(C[6a]C[6a]N[6a])	115.9140	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2122	0.210	4	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	119.8380	0.098	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0083	0.211	9	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	117.7375	0.121	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.8159	0.670	7	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0000	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.0310	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8290	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0503	0.175	3	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	120.2210	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.9745	0.442	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.0144	0.117	5	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	118.1945	0.271	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.1758	1.445	6	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	116.7740	1.600	3	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.0530	1.484	3	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	114.3730	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.1505	3.053	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.6130	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2472	0.540	8	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.3218	0.787	5	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.9660	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9260	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.0850	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9163	0.084	3	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4506	1.611	21	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.0138	0.691	50	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.7980	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.1220	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9887	0.226	3	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	116.6235	2.034	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1067	0.943	50	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8582	1.193	82	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0000	0.010	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5730	0.171	2	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6280	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7420	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.9930	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4640	0.000	1	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9660	0.854	18	117.8277	1.305	346	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6140	0.000	1	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.3560	0.369	2	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.3086	0.952	7	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.2758	0.473	17	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.4440	0.000	1	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0080	0.000	1	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2575	0.255	36	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.3100	0.000	1	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8550	0.000	1	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.5160	0.000	1	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8400	0.912	2	118.2751	0.207	70	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9133	0.178	3	118.3683	0.141	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4251	0.388	15	118.3683	0.141	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.5495	0.145	2	118.3683	0.141	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|I<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4435	0.118	2	118.3683	0.141	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2660	0.040	2	118.2341	0.725	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.9890	0.000	1	118.2341	0.725	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.9537	1.331	3	118.2341	0.725	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2570	0.000	1	118.2341	0.725	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7550	0.000	1	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7407	0.171	4	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2021	0.138	9	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9572	0.505	24	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0155	0.449	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0167	0.235	3	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.7460	0.387	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.1655	0.009	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6421	1.603	44	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.5910	0.129	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1156	0.393	7	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.2260	0.172	7	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.6017	1.678	20	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	117.3874	2.067	26	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7634	1.096	533	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8360	0.247	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8938	0.460	105	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6080	1.093	4	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.7890	0.000	1	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.5745	0.190	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.4415	0.063	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7940	0.106	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.0960	0.240	2	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.5613	0.627	7	117.7844	1.199	813	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0860	0.245	2	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	114.3875	0.634	2	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0335	0.129	2	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1925	0.348	6	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.4840	0.000	1	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1672	0.276	25	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.3597	2.081	12	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6000	0.000	1	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8210	0.000	1	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2920	0.021	2	117.8547	1.550	54	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8750	0.000	1	118.1920	0.597	98	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1068	0.625	5	118.1920	0.597	98	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.1807	1.727	7	118.1920	0.597	98	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|H<1>,1|P<4>}	H(C[6a]C[6a]N[6a])	118.6580	0.631	2	118.1920	0.597	98	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2750	0.602	83	118.1920	0.597	98	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	115.2990	3.968	2	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.3560	0.000	1	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	113.7950	0.000	1	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1714	0.586	66	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.9244	0.520	14	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.6535	0.023	2	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1381	0.335	12	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3273	0.668	27	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5212	0.320	9	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1220	0.000	1	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.1580	0.000	1	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9140	0.000	1	118.1291	0.690	137	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6812	0.167	12	118.4523	0.737	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.5415	0.477	2	118.4523	0.737	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3364	1.032	17	118.4523	0.737	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7135	0.835	4	118.4523	0.737	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4645	0.393	15	118.3823	1.186	74	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4680	0.210	4	118.3823	1.186	74	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0660	0.000	1	118.3823	1.186	74	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.2005	0.070	2	118.3823	1.186	74	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3650	1.283	52	118.3823	1.186	74	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0261	0.199	13	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6527	0.180	72	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1953	0.435	3	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4854	0.565	14	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0342	1.264	139	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.0295	1.235	2	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8153	1.809	32	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9345	0.205	4	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7751	0.163	8	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	113.4190	0.000	1	118.1700	1.330	288	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2200	0.537	2	118.4989	0.214	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	116.8220	0.000	1	118.4989	0.214	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.6162	0.159	19	118.4989	0.214	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7920	0.000	1	118.4989	0.214	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0490	0.000	1	118.4989	0.214	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0805	0.015	2	118.4989	0.214	26	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3031	0.356	22	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4750	0.150	3	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	110.4460	0.000	1	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3465	1.724	70	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.8530	0.065	2	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.3054	0.931	5	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0750	0.000	1	118.2222	2.700	104	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.1790	0.000	1	117.1790	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8750	0.188	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0509	1.198	8	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9510	0.075	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0015	0.240	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.8763	0.108	3	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0217	0.647	352	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.3390	1.489	3	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3050	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7215	0.052	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4196	0.756	18	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6240	0.057	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1421	0.824	1225	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2600	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.3380	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.5920	0.761	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.7110	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.0927	0.859	215	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1115	0.377	4	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.1260	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.8265	0.121	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.9940	0.992	5	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.4730	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	117.5242	0.190	4	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6570	0.577	350	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.4455	0.320	4	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.6020	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.9292	0.520	5	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.5715	0.269	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9179	0.642	10	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.7880	0.200	4	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<4>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	120.4147	0.198	3	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9120	0.974	125	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4825	0.987	8	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2963	0.066	4	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.8283	0.870	3	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0517	1.000	47	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2481	0.784	194	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<6>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3400	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<1>}	H(C[6a]C[6a]N[6a])	121.2630	0.762	3	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.4322	0.314	50	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.5101	0.814	147	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<4>}	H(C[6a]C[6a]N[6a])	119.6170	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.0333	0.336	21	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<3>}	H(C[6a]C[6a]N[6a])	118.2050	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6a]C[6a]N[6a])	118.6400	0.393	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	118.0060	0.221	3	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.5003	1.379	1107	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.7400	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1202	1.039	614	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.5370	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	117.8940	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Fe<8>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.3340	0.276	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.0070	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.1905	0.122	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.4337	0.709	10	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.8218	0.826	6	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.0360	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9238	1.178	5800	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.8667	0.549	4	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1588	0.631	9	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7679	0.420	14	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7965	0.016	2	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.3730	0.000	1	118.0420	1.249	10422	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9810	0.000	1	117.9810	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9255	0.094	2	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1760	0.000	1	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2482	0.629	15	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8770	0.064	7	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.9965	0.144	2	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.0790	0.000	1	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3442	0.263	5	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6360	0.847	4	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3050	0.348	2	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.1715	0.446	32	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.8860	0.000	2	118.1794	0.228	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8420	0.168	4	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.0230	0.481	2	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1268	0.559	4	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.3120	0.000	1	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3407	0.633	15	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2443	0.464	23	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8775	0.320	2	118.2101	0.257	51	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.8170	0.000	1	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9240	0.090	3	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.7640	0.021	2	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.0980	0.000	1	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[6a]N[6a])	117.9900	0.383	4	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.6523	0.965	15	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.2767	1.541	3	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.3030	0.066	2	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.1703	0.232	3	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4430	0.000	1	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2376	0.966	7	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.3950	0.000	1	117.8932	0.667	43	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.2435	0.347	2	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6163	0.370	6	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.6610	1.120	18	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7690	0.130	4	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.0470	1.220	28	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.9044	1.647	9	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3893	0.319	4	118.2982	1.307	71	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	H(C[6a]C[6a]N[6a])	116.5555	0.995	6	116.5555	0.991	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Pt<4>,1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.9500	0.000	1	119.9500	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3580	0.014	2	118.3239	0.468	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6131	0.529	9	118.3239	0.468	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	119.0515	1.133	2	118.3239	0.468	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.1912	0.180	4	118.3239	0.468	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.3217	0.218	4	118.3239	0.468	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7360	0.000	1	118.3239	0.468	22	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	H(C[6a]C[6a]N[6a])	118.2210	0.000	1	117.8000	0.354	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	H(C[6a]C[6a]N[6a])	117.3790	0.000	1	117.8000	0.354	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5503	0.207	73	118.5503	0.043	73	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.5005	0.110	2	118.5005	0.012	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	120.4943	0.429	3	119.1499	1.155	9	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.8765	0.234	2	119.1499	1.155	9	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.2782	0.264	4	119.1499	1.155	9	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.8810	0.189	8	118.8810	0.036	8	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.3500	0.000	1	118.2088	0.148	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9795	0.304	4	118.2088	0.148	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.2143	0.348	7	118.2088	0.148	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.9470	0.000	1	118.2088	0.148	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4287	0.224	21	118.4061	0.570	40	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3811	1.086	19	118.4061	0.570	40	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.3960	0.000	1	118.4896	0.554	42	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.4406	0.664	34	118.4896	0.554	42	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.7985	1.225	6	118.4896	0.554	42	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.3940	0.000	1	118.4896	0.554	42	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Pd)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Pd<4>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Pd)(C[6a]C[6a]H){1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	118.7385	0.288	2	118.7385	0.083	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9390	0.000	1	117.9432	0.001	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9595	0.040	2	117.9432	0.001	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9060	0.000	1	117.9432	0.001	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9520	0.000	1	117.9432	0.001	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|P<3>}	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.6940	0.024	2	118.6940	0.001	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.6475	0.207	2	118.5300	0.023	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|I<1>}	H(C[6a]C[6a]N[6a])	118.4650	0.081	2	118.5300	0.023	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.4775	0.151	2	118.5300	0.023	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|I<1>}	H(C[6a]C[6a]N[6a])	118.6860	0.000	1	118.6417	0.002	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.6195	0.036	2	118.6417	0.002	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.6660	0.106	2	118.6957	0.004	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|I<1>}	H(C[6a]C[6a]N[6a])	118.6920	0.058	2	118.6957	0.004	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.7290	0.033	2	118.6957	0.004	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	119.2655	1.121	2	117.0986	5.173	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	115.6540	1.376	3	117.0986	5.173	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<2>}	H(C[6a]C[6a]N[6a])	119.6020	0.000	1	119.6020	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.9960	0.000	1	118.9960	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|I<1>}	H(C[6a]C[6a]N[6a])	118.7365	0.135	2	118.5148	0.126	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|I<1>}	H(C[6a]C[6a]N[6a])	118.3985	0.562	2	118.5148	0.126	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[6a]N[6a])	118.3040	0.000	1	118.5148	0.126	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|I<1>}	H(C[6a]C[6a]N[6a])	119.1065	0.151	2	119.1065	0.023	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.8100	0.000	1	118.3942	0.341	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6215	0.780	2	118.3942	0.341	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.8480	0.000	1	118.3942	0.341	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.0700	0.000	1	118.3942	0.341	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.4720	0.000	1	118.4720	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.0530	0.000	1	118.1857	0.557	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2078	0.815	6	118.1857	0.557	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	116.4020	0.000	1	117.7270	3.511	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.0520	0.000	1	117.7270	3.511	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7980	0.000	1	118.2603	0.217	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.9915	0.032	2	118.2603	0.217	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.0340	0.000	1	118.4300	0.730	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.8260	0.000	1	118.4300	0.730	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.5010	0.000	1	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.5980	0.000	1	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	110.8820	0.000	1	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.9270	1.525	2	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1290	1.336	17	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.7937	0.848	3	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.9730	0.143	2	117.8650	3.290	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.0860	1.267	6	118.3299	2.225	9	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<4>}	H(C[6a]C[6a]N[6a])	119.1270	0.000	1	118.3299	2.225	9	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.6630	2.926	2	118.3299	2.225	9	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.0435	3.120	6	117.0435	9.733	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.2280	0.000	1	118.3735	0.042	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.5190	0.000	1	118.3735	0.042	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2236	0.128	7	117.8829	3.118	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.4060	2.839	5	117.8829	3.118	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.4815	0.175	2	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.4563	0.318	3	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.0145	0.265	2	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.6017	0.279	3	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.0910	0.000	1	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1783	0.348	4	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.2070	0.014	3	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.4120	0.745	2	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<1>}	H(C[6a]C[6a]N[6a])	119.6897	0.114	3	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.2117	0.444	50	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.3328	0.651	137	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<4>}	H(C[6a]C[6a]N[6a])	119.8320	0.000	1	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.6260	0.000	1	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.4690	0.000	1	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.0120	0.709	6	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.7900	0.000	1	118.2794	0.404	220	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.9860	0.000	1	118.9860	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.0375	0.107	2	119.0375	0.011	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.1130	0.000	1	117.8590	0.129	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>}	H(C[6a]C[6a]N[6a])	117.6050	0.000	1	117.8590	0.129	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.2435	0.050	2	119.2435	0.003	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.1770	0.062	3	118.1770	0.004	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.5300	0.000	1	118.5300	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	115.9730	0.000	1	117.6623	0.834	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2360	0.000	1	117.6623	0.834	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.2560	0.000	1	117.6623	0.834	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1697	0.154	3	117.6623	0.834	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.8390	0.000	1	118.8390	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.8950	0.264	2	118.8950	0.070	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6360	0.164	2	118.6857	0.016	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.7835	0.127	2	118.6857	0.016	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.5150	0.000	1	118.6857	0.016	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	H(C[6a]C[6a]N[6a])	118.7230	0.000	2	118.6857	0.016	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.6720	0.335	2	117.6720	0.112	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.3060	0.000	1	119.3060	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.5850	0.000	1	117.9780	0.309	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.3710	0.000	1	117.9780	0.309	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.8630	0.000	1	118.0961	1.241	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.6880	1.332	7	118.0961	1.241	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5645	0.381	2	118.0961	1.241	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.6450	0.000	1	118.0961	1.241	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[6a]N[6a])	118.7000	0.000	1	118.0961	1.241	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.1830	0.000	1	118.4745	0.170	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.7660	0.000	1	118.4745	0.170	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.1985	0.049	2	119.1985	0.002	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.6356	0.297	5	118.4998	0.606	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9012	0.245	6	118.4998	0.606	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	116.0710	0.000	1	118.4998	0.606	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1705	0.235	2	118.4998	0.606	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.1380	0.000	1	119.1380	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.2570	0.008	2	118.1587	0.171	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.5005	0.368	2	118.1587	0.171	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	117.7185	0.279	2	118.1587	0.171	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6390	0.000	1	118.6390	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.0027	0.076	3	118.0027	0.006	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8115	0.354	12	118.8115	0.125	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.5810	0.000	1	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.5620	0.000	2	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.5140	0.210	5	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.1345	0.035	2	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.7554	0.347	19	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.4150	0.170	3	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.1570	0.000	1	118.7060	0.136	33	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.7542	0.280	4	118.7542	0.078	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.0350	0.000	1	118.0350	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6a]C[6a]N[6a])	118.4450	0.000	1	118.4450	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Pd<4>,1|C<3>}	H(C[6a]C[6a]N[6a])	117.7005	0.412	2	117.7005	0.170	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8020	0.000	1	117.8020	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	118.6245	0.247	2	118.6245	0.061	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.0790	0.040	2	117.7172	0.353	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<1>}	H(C[6a]C[6a]N[6a])	118.4760	0.000	1	117.7172	0.353	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	118.0995	0.138	2	117.7172	0.353	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.4700	0.000	1	117.7172	0.353	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.8640	0.000	1	117.9884	0.195	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	117.7293	0.321	4	117.9884	0.195	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[6a]N[6a])	117.6035	0.168	2	117.9884	0.195	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	118.2502	0.489	4	117.9884	0.195	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.5240	0.134	2	117.9884	0.195	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6a]C[6a]N[6a])	117.8000	0.000	1	117.9884	0.195	14	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.6490	0.062	2	118.6490	0.004	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Se<2>,1|C<3>}	H(C[6a]C[6a]N[6a])	118.2510	0.168	2	118.2510	0.028	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.9200	0.000	1	117.9200	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.6620	0.000	1	117.6620	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	H(C[6a]C[6a]N[6a])	117.3090	0.133	4	117.3090	0.018	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.1490	0.000	1	118.1490	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.1595	0.008	2	117.1595	0.000	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	116.4280	0.000	1	116.4280	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.7170	0.000	1	118.7170	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.7070	0.000	1	117.7070	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	117.9667	0.340	3	117.9667	0.116	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.3560	0.000	1	117.3560	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.6670	0.559	2	119.6670	0.312	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.9620	0.000	1	118.9620	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.4070	0.000	1	119.4070	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.1860	0.000	1	119.4908	0.028	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.6280	0.000	1	119.4908	0.028	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.5715	0.029	2	119.4908	0.028	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.4350	0.000	1	119.4908	0.028	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.5032	0.173	5	119.4908	0.028	10	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.0350	0.052	2	118.0350	0.003	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.8860	0.000	1	118.6050	0.294	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.9320	0.383	2	118.6050	0.294	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.6700	0.000	1	118.6050	0.294	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.5470	0.455	2	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.8230	0.210	3	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.5071	0.318	19	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<4>}	H(C[6a]C[6a]N[6a])	118.2070	0.000	1	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|Co<6>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[6a]N[6a])	120.3750	0.000	1	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.6653	0.204	9	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9201	0.483	16	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.6817	0.156	3	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.2020	0.000	1	118.7225	0.264	55	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	H(C[6a]C[6a]N[6a])	116.8900	0.000	1	116.8900	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.6585	0.206	4	118.6015	0.037	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.4875	0.136	2	118.6015	0.037	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0130	0.528	6	118.7555	0.431	236	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.7596	0.625	188	118.7555	0.431	236	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.3480	0.000	1	118.7555	0.431	236	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.7061	0.783	19	118.7555	0.431	236	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|C<2>}	H(C[6a]C[6a]N[6a])	118.9895	0.551	16	118.7555	0.431	236	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|C<4>}	H(C[6a]C[6a]N[6a])	117.8025	0.895	6	118.7555	0.431	236	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H){2|C<3>,2|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.1950	0.000	1	119.1950	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.5804	0.545	5	118.8323	0.221	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0663	0.180	3	118.8323	0.221	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9715	0.454	4	118.8323	0.221	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.6687	0.139	3	118.8415	0.052	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0965	0.009	2	118.8415	0.052	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.8500	0.000	1	118.8415	0.052	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	120.1737	0.090	3	120.2055	0.009	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	120.3010	0.000	1	120.2055	0.009	4	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.8374	0.171	7	119.8374	0.029	7	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<4>,2|H<1>,2|O<2>}	H(C[6a]C[6a]N[6a])	118.8450	0.000	1	118.8450	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	119.2000	0.000	1	118.8176	0.618	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.0380	0.000	1	118.8176	0.618	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.8181	0.224	16	118.8176	0.618	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.9193	0.100	3	118.8176	0.618	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	115.7870	0.000	1	118.8176	0.618	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|N<2>}	H(C[6a]C[6a]N[6a])	119.2406	1.118	5	118.8176	0.618	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.8509	0.223	7	118.5976	1.854	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.6090	1.648	21	118.5976	1.854	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.8630	0.000	1	118.5976	1.854	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	H(C[6a]C[6a]N[6a])	118.7180	0.278	6	118.5976	1.854	35	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.9315	2.155	6	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0403	0.172	3	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.2677	0.342	10	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8219	0.392	20	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.4315	1.177	31	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0880	0.136	3	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.3900	0.880	4	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.7443	0.918	184	118.7318	0.914	261	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8817	0.504	4	118.4652	2.159	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	117.8864	2.242	5	118.4652	2.159	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|N<2>}	H(C[6a]C[6a]N[6a])	118.8743	0.061	3	118.4652	2.159	12	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	119.0300	0.000	1	118.6327	2.100	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[6a]N[6a])	117.8020	1.082	3	118.6327	2.100	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8915	0.127	2	118.6327	2.100	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[6a]N[6a])	118.6972	1.708	18	118.6327	2.100	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.4620	0.000	1	118.6327	2.100	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.9265	0.053	2	118.6327	2.100	27	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.1770	0.173	5	119.2572	0.062	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	119.6580	0.000	1	119.2572	0.062	6	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8300	0.000	1	117.6741	6.134	38	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8265	0.169	4	117.6741	6.134	38	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.3293	0.485	3	117.6741	6.134	38	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8050	0.247	2	117.6741	6.134	38	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.3620	0.000	1	117.6741	6.134	38	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	117.2786	2.850	27	117.6741	6.134	38	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.2065	0.326	2	119.0131	0.048	24	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	119.0492	0.128	5	119.0131	0.048	24	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.2650	0.096	2	119.0131	0.048	24	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.1290	0.160	5	119.0131	0.048	24	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.9990	0.000	1	119.0131	0.048	24	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8312	0.178	9	119.0131	0.048	24	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>}	H(C[6a]C[6a]N[6a])	118.9130	0.106	4	118.9442	0.013	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0690	0.000	1	118.9442	0.013	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Cl<1>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.2730	0.000	1	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.6310	0.000	1	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.3787	1.266	27	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	H(C[6a]C[6a]N[6a])	118.4130	0.730	2	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.6369	0.267	8	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.7555	0.194	2	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	H(C[6a]C[6a]N[6a])	118.5195	0.166	6	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.8030	0.058	2	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.0810	0.067	3	118.5294	0.903	52	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9480	0.488	5	118.9480	0.238	5	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.7000	0.000	1	118.7000	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.9650	0.000	1	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.5094	0.788	5	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.7389	0.771	231	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.7835	0.860	26	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.6620	1.814	31	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.0373	0.231	9	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|P<4>}	H(C[6a]C[6a]N[6a])	119.2860	0.000	1	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	119.1110	0.230	8	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<3>}	H(C[6a]C[6a]N[6a])	118.8910	0.133	2	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<4>}	H(C[6a]C[6a]N[6a])	118.5593	0.192	3	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.0298	0.424	4	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.4926	1.896	188	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	118.8190	0.044	2	118.6584	1.845	511	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.7835	0.248	2	118.7835	0.062	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[6a]N[6a])	115.2960	0.000	1	115.2960	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[6a]N[6a])	119.1500	0.000	1	119.1500	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Pd<4>,1|C<3>}	N[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<2>,2|H<1>}	H(C[6a]C[6a]N[6a])	118.9980	0.182	2	118.9980	0.033	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	119.0830	0.214	2	119.0697	0.023	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	119.0430	0.000	1	119.0697	0.023	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.9130	0.000	1	119.3687	0.199	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.5965	0.295	2	119.3687	0.199	3	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>}	H(C[6a]C[6a]N[6a])	120.1780	0.000	1	120.1780	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	118.2473	1.680	27	118.6536	1.995	45	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|N<2>}	H(C[6a]C[6a]N[6a])	118.9145	0.405	4	118.6536	1.995	45	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|N<3>}	H(C[6a]C[6a]N[6a])	119.3624	0.404	14	118.6536	1.995	45	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[6a]N[6a])	115.8160	0.000	1	115.8160	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.8250	0.000	1	119.7320	0.088	97	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.6364	0.122	7	119.7320	0.088	97	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[6a]N[6a])	119.5212	0.202	9	119.7320	0.088	97	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|O<2>}	H(C[6a]C[6a]N[6a])	119.7755	0.288	80	119.7320	0.088	97	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|P<4>}	H(C[6a]C[6a]N[6a])	119.6010	0.000	1	119.6010	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a]N[6a])	117.7585	0.006	2	117.7585	0.000	2	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[6a]N[6a])	118.9297	0.337	8	119.2395	0.251	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<3>}	H(C[6a]C[6a]N[6a])	119.5340	0.065	2	119.2395	0.251	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<4>}	H(C[6a]C[6a]N[6a])	119.8690	0.207	3	119.2395	0.251	13	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	H(C[6a]C[6a]N[6a])	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<3>}	H(C[6a]C[6a]N[6a])	117.7730	0.000	1	117.7730	0.000	1	118.0666	1.277	20490	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	119.2460	0.000	1	119.2460	0.000	1	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(C[6a]C[6a]N[6a])	117.0820	1.225	2	117.0820	1.500	2	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a]N[6a])	118.3360	0.000	1	118.3360	0.000	1	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	114.5140	0.000	1	114.5140	0.000	1	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[6a]N[6a])	118.0080	0.000	1	118.0080	0.000	1	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	117.6125	0.112	2	117.6125	0.013	2	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	H(C[6a]C[6a]N[6a])	117.1880	0.000	1	117.1880	0.000	1	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>}	H(C[6a]C[6a]N[6a])	115.7100	0.000	1	115.7100	0.000	1	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.3820	0.206	3	118.3820	0.043	3	117.5028	1.711	13	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(H){1|H<1>,2|C<3>}	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|C<3>}	H(C[6a]C[6a]N[6a])	117.3875	0.036	2	117.3875	0.001	2	117.8450	0.184	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6a]C[6a]N[6a])	118.4090	0.000	1	118.4090	0.000	1	117.8450	0.184	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(C[6a]C[6a]N[6a])	118.0840	0.178	3	117.9327	0.113	4	117.8450	0.184	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<4>,2|C<3>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(C[6a]C[6a]N[6a])	117.4790	0.000	1	117.9327	0.113	4	117.8450	0.184	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.3265	0.095	2	118.4910	0.037	6	118.8132	0.174	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,4|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.6535	0.021	2	118.4910	0.037	6	118.8132	0.174	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.4930	0.266	2	118.4910	0.037	6	118.8132	0.174	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|N<2>,4|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.1930	0.167	3	119.1343	0.032	4	118.8132	0.174	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,2|C<3>,2|N<2>}	H(C[6a]N[5a,6a]N[6a])	118.9580	0.000	1	119.1343	0.032	4	118.8132	0.174	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[5a,6a]H){1|N<2>,3|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.4620	0.000	1	119.4620	0.000	1	118.8132	0.174	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.2975	0.100	2	118.2703	0.007	3	118.2703	0.007	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.2160	0.000	1	118.2703	0.007	3	118.2703	0.007	3	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	H(C[6a]N[5a,6a]N[6a])	116.8650	0.000	1	116.8650	0.000	1	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.1930	0.000	1	118.8176	0.059	5	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|I<1>,4|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.5500	0.000	1	118.8176	0.059	5	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.7980	0.000	1	118.8176	0.059	5	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.7735	0.134	2	118.8176	0.059	5	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.6640	0.000	1	118.6640	0.000	1	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.0050	0.188	2	119.0050	0.035	2	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|N<2>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl){1|N<2>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	122.2620	0.000	1	122.2620	0.000	1	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	H(C[6a]N[5a,6a]N[6a])	119.2500	0.000	1	119.2500	0.000	1	119.0126	1.581	11	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){1|C<3>,2|N<2>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[6a]2)	117.2070	0.407	4	117.2070	0.165	4	116.8101	0.715	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	116.8560	0.000	1	116.8560	0.000	1	116.8101	0.715	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]N[6a]2)	115.9935	1.353	2	115.9935	1.830	2	116.8101	0.715	7	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	H(C[6a]N[6a]2)	116.8510	0.000	1	116.8510	0.000	1	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<3>}	H(C[6a]N[6a]2)	119.4890	0.000	1	119.4890	0.000	1	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	H(C[6a]N[6a]2)	116.6430	0.000	1	116.5717	0.055	3	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	H(C[6a]N[6a]2)	116.5360	0.320	2	116.5717	0.055	3	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[6a]2)	116.1680	0.000	1	116.1680	0.000	1	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]N[6a]2)	119.7430	0.000	1	119.7430	0.000	1	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	H(C[6a]N[6a]2)	117.0097	0.297	3	117.0097	0.088	3	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	H(C[6a]N[6a]2)	117.9330	0.000	1	117.9330	0.000	1	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>}	H(C[6a]N[6a]2)	117.9105	0.349	2	117.9830	0.077	3	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[6a]2)	118.1280	0.000	1	117.9830	0.077	3	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]N[6a]2)	117.6920	0.000	1	118.3085	0.760	2	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,2|H<1>}	H(C[6a]N[6a]2)	118.9250	0.000	1	118.3085	0.760	2	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[6a]2)	117.7720	0.000	1	117.8288	0.026	6	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]N[6a]2)	117.7947	0.235	3	117.8288	0.026	6	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,2|H<1>}	H(C[6a]N[6a]2)	117.9085	0.039	2	117.8288	0.026	6	117.6576	0.863	22	118.0630	1.292	20970	117.9217	1.479	24830	117.9217	1.479	24830
643	371	951	0:SP2_SP-NON_SP2	C[6a]	N[6a]	H	3:2:1:	4:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](N[6a]B[6,6a]CC)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[6a](N[6a]B[6,6a]CC)(C[6a]C[6a,6a]H){2|C<3>,2|O<2>}	H(C[6a]C[6a,6a]N[6a])	114.9525	0.138	2	114.9525	0.019	2	114.9525	0.019	2	114.9525	0.019	2	117.9217	1.479	24830	117.9217	1.479	24830