643	727	813	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:N[5a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a])	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a]){1|H<1>,1|N<3>,2|N<2>,4|C<3>}	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.6555	0.832	2	124.6555	0.693	2	124.6555	0.693	2	124.6555	0.693	2	122.9816	2.511	5	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH){1|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	121.8680	0.000	1	121.8680	0.000	1	121.8657	0.006	3	121.8657	0.006	3	122.9816	2.511	5	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	121.8645	0.107	2	121.8645	0.011	2	121.8657	0.006	3	121.8657	0.006	3	122.9816	2.511	5	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<2>,3|C<3>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	122.7640	0.021	2	122.7640	0.000	2	122.7640	0.000	2	122.9900	0.173	8	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2{1|N<2>,2|C<3>,2|H<1>}	122.5310	0.000	1	122.5310	0.000	1	123.0653	0.215	6	122.9900	0.173	8	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|N<2>,5|C<3>}	123.6480	0.000	1	123.6480	0.000	1	123.0653	0.215	6	122.9900	0.173	8	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>,2|C<3>}	122.9670	0.000	1	122.9670	0.000	1	123.0653	0.215	6	122.9900	0.173	8	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	123.6240	0.000	1	123.6240	0.000	1	123.0653	0.215	6	122.9900	0.173	8	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2{1|N<2>,2|C<3>}	122.8110	0.024	2	122.8110	0.001	2	123.0653	0.215	6	122.9900	0.173	8	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	120.8010	0.000	1	120.8010	0.000	1	120.5083	0.112	7	120.5083	0.112	7	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	120.6225	0.366	2	120.4595	0.114	6	120.5083	0.112	7	120.5083	0.112	7	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	120.3780	0.344	4	120.4595	0.114	6	120.5083	0.112	7	120.5083	0.112	7	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2363	0.423	3	121.2363	0.179	3	121.2363	0.179	3	121.2363	0.179	3	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]Ni)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]Ni){2|H<1>,5|C<3>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	119.7688	2.940	5	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	118.3270	0.000	1	118.3270	0.000	1	119.1107	0.954	3	119.7688	2.940	5	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	118.8000	0.000	1	118.8000	0.000	1	119.1107	0.954	3	119.7688	2.940	5	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	120.2050	0.000	1	120.2050	0.000	1	119.1107	0.954	3	119.7688	2.940	5	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<3>,3|H<1>,6|C<3>}	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	119.7688	2.940	5	121.2840	2.314	24	121.5117	2.720	30
643	727	813	0:SP2_SP2_SP2	C[6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|N<2>}	C[5a](C[6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(N[5a]O[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	121.5117	2.720	30
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO){1|C<3>,1|N<2>,2|C<4>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	118.0078	2.696	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.9600	0.000	1	117.9600	0.000	1	118.1070	0.032	4	118.1070	0.032	4	118.0078	2.696	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.2625	0.022	2	118.2625	0.000	2	118.1070	0.032	4	118.1070	0.032	4	118.0078	2.696	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.9430	0.000	1	117.9430	0.000	1	118.1070	0.032	4	118.1070	0.032	4	118.0078	2.696	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	118.0078	2.696	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.6353	0.813	3	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a]){1|C<4>,3|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	109.6353	0.813	3	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	109.6353	0.813	3	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O){1|C<3>,2|H<1>,3|C<4>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	113.4560	2.208	6	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	113.4560	2.208	6	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	114.3885	0.426	4	114.3885	0.182	4	114.3885	0.182	4	113.4560	2.208	6	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5]){1|C<4>,1|N<3>,5|C<3>}	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	112.9798	11.009	10	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	114.3410	19.263	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	113.4335	2.254	2	114.3410	19.263	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	113.4335	2.254	2	114.3410	19.263	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	114.3410	19.263	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	119.0905	0.062	2	114.3410	19.263	6	114.7223	14.518	22
643	727	813	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	119.0905	0.062	2	114.3410	19.263	6	114.7223	14.518	22
643	727	818	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[5,6])(N[5a]S[5a])	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[5,6])(N[5a]S[5a]){1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	124.6077	0.907	4	124.6077	0.823	4	124.6077	0.823	4	124.6077	0.823	4	124.6077	0.823	4	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5])	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	123.1426	7.837	12	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5])	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	122.5995	0.336	2	122.5995	0.113	2	122.5995	0.113	2	122.5995	0.113	2	123.1426	7.837	12	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<3>,2|C<3>,2|C<4>,3|H<1>}	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	123.1426	7.837	12	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.4660	0.000	1	124.4660	0.000	1	124.4660	0.000	1	124.4660	0.000	1	123.1426	7.837	12	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,1|O<2>,3|C<3>,8|H<1>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	124.0150	0.000	1	124.6817	0.639	7	124.6817	0.639	7	124.6817	0.639	7	123.1426	7.837	12	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	124.7928	0.814	6	124.6817	0.639	7	124.6817	0.639	7	124.6817	0.639	7	123.1426	7.837	12	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	115.7450	0.000	1	115.7450	0.000	1	115.7450	0.000	1	115.7450	0.000	1	115.7450	0.000	1	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a])	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	121.6746	1.290	21	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(N[5a]S[5a]){1|Se<2>,1|H<1>,3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	122.5335	0.323	2	122.5335	0.104	2	122.5335	0.104	2	122.5335	0.104	2	121.6746	1.290	21	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	121.8383	0.481	4	121.8383	0.232	4	121.8383	0.232	4	121.8383	0.232	4	121.6746	1.290	21	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	122.5695	0.151	6	122.5695	0.023	6	122.5695	0.023	6	121.7277	1.052	14	121.6746	1.290	21	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	121.4228	1.037	4	121.4228	1.075	4	121.4228	1.075	4	121.7277	1.052	14	121.6746	1.290	21	122.2909	5.283	38
643	727	818	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C[5])	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Fe<5>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.7700	0.826	4	120.7700	0.682	4	120.7700	0.682	4	121.7277	1.052	14	121.6746	1.290	21	122.2909	5.283	38
643	727	818	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,2|C<3>,7|C<4>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){4|Cl<1>,3|C<4>,5|C<3>}	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	115.1061	1.292	8
643	727	818	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	114.1940	0.231	2	114.1940	0.053	2	114.1940	0.053	2	114.8778	0.861	6	114.8196	0.741	7	115.1061	1.292	8
643	727	818	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	114.4100	0.000	1	114.3760	0.002	2	114.3760	0.002	2	114.8778	0.861	6	114.8196	0.741	7	115.1061	1.292	8
643	727	818	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	114.3420	0.000	1	114.3760	0.002	2	114.3760	0.002	2	114.8778	0.861	6	114.8196	0.741	7	115.1061	1.292	8
643	727	818	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	116.0580	0.000	1	116.0635	0.000	2	116.0635	0.000	2	114.8778	0.861	6	114.8196	0.741	7	115.1061	1.292	8
643	727	818	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	116.0690	0.000	1	116.0635	0.000	2	116.0635	0.000	2	114.8778	0.861	6	114.8196	0.741	7	115.1061	1.292	8
643	727	818	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	114.4700	0.000	1	114.4700	0.000	1	114.4700	0.000	1	114.4700	0.000	1	114.8196	0.741	7	115.1061	1.292	8
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	F	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:F-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(F)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F)	F(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(F){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F){1|C<3>,1|C<4>,5|H<1>}	F(C[6a]C[5,6,6a]C[6a])	120.5940	0.000	1	120.5940	0.000	1	120.5940	0.000	1	120.5940	0.000	1	120.5940	0.000	1	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F)	F(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F){1|B<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F){1|H<1>,1|O<2>,3|C<3>}	F(C[6a]C[5,6a]N[6a])	119.9880	0.000	1	119.9880	0.000	1	119.9880	0.000	1	119.9880	0.000	1	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(F)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	F(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(F){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	F(C[6a]C[5,6a]2)	119.2211	0.314	13	119.2211	0.098	13	119.2211	0.098	13	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	119.2600	0.000	1	119.2600	0.000	1	119.2725	0.000	2	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Se<2>,1|C<3>,1|H<1>,1|S<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	119.2850	0.000	1	119.2850	0.000	1	119.2725	0.000	2	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(F){1|Si<5>,1|C<3>,1|F<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5]){1|C<3>,2|F<1>,3|O<2>}	F(C[6a]C[5,6a]C[6a])	121.1634	0.303	8	121.1634	0.092	8	120.9454	0.283	10	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	F(C[6a]C[5,6a]C[6a])	120.0735	0.005	2	120.0735	0.000	2	120.9454	0.283	10	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Br<1>,1|Zn<4>,1|F<1>,2|C<3>}	F(C[6a]C[5,6a]C[6a])	118.8750	1.059	2	118.8750	1.122	2	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Tb<12>,1|C<3>,1|S<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.3325	0.253	4	120.1491	0.448	16	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Yb<12>,1|C<3>,1|S<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.0650	0.945	8	120.1491	0.448	16	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Cu<4>,2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.2540	0.137	2	120.1491	0.448	16	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Zn<4>,1|C<2>,1|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	119.9230	0.000	1	120.1491	0.448	16	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Zn<4>,2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.1040	0.000	1	120.1491	0.448	16	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(S[5]C[5]){1|B<4>,1|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.0755	0.059	4	120.0755	0.003	4	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.1440	0.000	1	121.1440	0.000	1	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	118.0920	0.000	1	118.0920	0.000	1	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	F(C[6a]C[5,6a]C[6a])	117.1820	0.000	1	117.1820	0.000	1	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(F)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(F){1|N<3>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<1>}	F(C[6a]C[5,6a]C[6a])	117.9897	0.477	3	117.9897	0.228	3	119.6723	1.231	28	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5])	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	F(C[6a]C[5,6a]C[6a])	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	119.7325	1.205	54	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,2|N<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	121.1695	0.308	2	121.1695	0.095	2	121.3058	0.061	4	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	121.4420	0.123	2	121.4420	0.015	2	121.3058	0.061	4	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){1|N<3>,1|O<2>,3|C<3>,3|F<1>}	F(C[6a]C[5,6a]C[6a])	123.2410	0.226	2	123.2410	0.051	2	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<3>,3|F<1>,4|C<3>}	F(C[6a]C[5,6a]C[6a])	123.0563	0.167	3	123.0563	0.028	3	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F){2|N<3>,3|C<3>,3|F<1>}	F(C[6a]C[5,6a]C[6a])	122.5318	0.132	4	122.5318	0.017	4	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){3|F<1>,4|C<3>}	F(C[6a]C[5,6a]C[6a])	123.1930	0.334	2	123.1572	0.077	6	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	F(C[6a]C[5,6a]C[6a])	123.1393	0.299	4	123.1572	0.077	6	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	122.8370	0.000	1	122.7125	0.031	2	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,3|C<3>,3|F<1>}	F(C[6a]C[5,6a]C[6a])	122.5880	0.000	1	122.7125	0.031	2	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(F){1|Si<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]F){2|C<4>,3|C<3>,3|F<1>}	F(C[6a]C[5,6a]C[6a])	123.1450	0.000	1	123.1450	0.000	1	122.9606	0.111	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	120.7170	0.000	1	120.7170	0.000	1	121.2789	0.836	14	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){1|Br<1>,2|F<1>,4|C<3>}	F(C[6a]C[5,6a]C[6a])	122.8600	0.000	1	122.5643	0.082	3	121.2789	0.836	14	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	122.4165	0.183	2	122.5643	0.082	3	121.2789	0.836	14	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F){1|Mg<4>,1|B<4>,2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	121.1954	0.524	8	121.1954	0.274	8	121.2789	0.836	14	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	F(C[6a]C[5,6a]C[6a])	119.9655	0.097	2	119.9655	0.009	2	121.2789	0.836	14	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,1|O<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.6940	0.000	1	121.6940	0.000	1	119.6970	4.347	6	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Br<1>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br){2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	121.6070	0.000	1	121.6070	0.000	1	119.6970	4.347	6	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Si<4>,1|C<3>,1|F<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,2|C<4>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.4690	0.000	1	121.4690	0.000	1	119.6970	4.347	6	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	117.7075	0.392	2	117.8040	0.105	3	119.6970	4.347	6	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]O){1|Cl<1>,1|C<3>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	117.9970	0.000	1	117.8040	0.105	3	119.6970	4.347	6	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|O<1>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	123.0140	0.000	1	123.0140	0.000	1	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.4090	0.767	2	122.5151	0.147	13	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.5640	0.091	2	122.5151	0.147	13	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Ni<4>,1|C<3>,1|N<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.8990	0.000	1	122.5151	0.147	13	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|O<1>,2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.4415	0.391	4	122.5151	0.147	13	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Sn<4>,1|C<3>,1|O<1>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.5213	0.413	4	122.5151	0.147	13	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C){1|Cu<4>,1|B<4>,1|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.4480	0.270	3	120.4480	0.073	3	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B){1|P<3>,2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	122.7730	0.000	1	122.7730	0.000	1	122.2126	0.788	18	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]F)(F)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]F)(F){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|F<1>,2|C<4>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	121.9880	0.174	2	121.9880	0.030	2	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Cu<4>,1|C<3>,1|C<4>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.8483	0.298	3	122.8295	0.086	11	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Mg<4>,2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	122.8224	0.312	8	122.8295	0.086	11	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Cu)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Cu<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Cu){2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.2215	0.077	2	121.2215	0.006	2	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Tb)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Tb<12>,1|C<3>,1|C<4>,1|F<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Tb){1|C<3>,1|S<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.7235	0.619	4	121.7235	0.383	4	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Yb)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Yb<12>,1|C<3>,1|C<4>,1|F<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Yb){1|C<3>,1|S<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.5955	0.430	8	121.5955	0.185	8	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Br<1>,1|Zn<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	119.8930	0.911	2	119.8620	0.312	4	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Zn<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){1|C<2>,1|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	119.6040	0.000	1	119.8620	0.312	4	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(F){1|Zn<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]C[5]Zn){2|C<3>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.0580	0.000	1	119.8620	0.312	4	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	120.7020	0.000	1	120.7020	0.000	1	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	119.9240	0.000	1	119.9240	0.000	1	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	120.7460	0.000	1	120.4210	0.283	5	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	119.9175	0.506	2	120.4210	0.283	5	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	120.7620	0.178	2	120.4210	0.283	5	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	119.4720	0.000	1	119.0853	0.063	8	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	F(C[6a]C[5,6a]C[6a])	119.0300	0.213	7	119.0853	0.063	8	121.1318	1.917	46	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F){1|C<3>,1|N<2>,1|O<2>,4|F<1>}	F(C[6a]C[5,6a]C[6a])	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(F)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	F(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(F){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	F(C[6a]C[6a,6a]C[5,6a])	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	121.5914	1.943	109	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|F<1>,1|O<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.3610	0.000	1	118.6990	2.360	5	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|O<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	118.0335	0.440	4	118.0335	0.194	4	118.6990	2.360	5	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	F(C[6a]C[5,6a]C[6a])	120.9880	0.000	1	120.9880	0.000	1	120.1470	1.415	2	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	119.3060	0.000	1	119.3060	0.000	1	120.1470	1.415	2	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|Cl<1>,2|C<3>,2|F<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	121.6875	0.313	2	121.4310	0.230	10	121.4310	0.230	10	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	121.4495	0.426	4	121.4310	0.230	10	121.4310	0.230	10	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|H<1>,3|F<1>}	F(C[6a]C[5,6a]C[6a])	120.9800	0.000	1	121.4310	0.230	10	121.4310	0.230	10	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	121.4650	1.024	2	121.4310	0.230	10	121.4310	0.230	10	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|F<1>,3|H<1>}	F(C[6a]C[5,6a]C[6a])	121.2270	0.000	1	121.4310	0.230	10	121.4310	0.230	10	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO){1|C<4>,2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	121.2490	0.304	4	121.2490	0.092	4	121.2490	0.092	4	120.6236	2.013	21	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	121.0520	0.122	4	121.0520	0.015	4	121.0520	0.015	4	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|F<1>,6|C<3>}	F(C[6a]C[5,6a]C[6a])	120.3920	0.000	1	120.3920	0.000	1	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<2>,1|B<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	F(C[6a]C[5,6a]C[6a])	120.1525	0.484	2	120.1525	0.235	2	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	F(C[6a]C[5,6a]C[6a])	120.5690	0.286	2	120.5690	0.082	2	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<1>,1|C<4>,1|F<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	120.2765	0.107	2	120.2765	0.011	2	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|P<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	119.2270	0.000	1	119.2270	0.000	1	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	120.4847	0.323	4	120.4847	0.105	4	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,1|P<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	120.2310	0.000	1	120.2310	0.000	1	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	F(C[6a]C[5,6a]C[6a])	117.6850	0.000	1	117.6850	0.000	1	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	F(C[6a]C[5,6a]C[6a])	118.1645	0.274	2	118.1645	0.075	2	119.8624	1.007	16	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	121.6937	0.230	4	121.6937	0.053	4	121.2318	1.107	5	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	119.3840	0.000	1	119.3840	0.000	1	121.2318	1.107	5	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F){3|F<1>,6|C<3>}	F(C[6a]C[5,6a]C[6a])	121.6210	0.000	1	121.6210	0.000	1	121.4655	0.048	2	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(F){1|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F){1|B<4>,1|P<3>,2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	121.3100	0.000	1	121.3100	0.000	1	121.4655	0.048	2	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F){1|F<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]F){2|F<1>,3|C<3>}	F(C[6a]C[5,6a]C[6a])	120.0170	0.000	1	120.0170	0.000	1	119.2618	1.478	5	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|F<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<2>,2|F<1>}	F(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	120.9660	0.000	1	119.2618	1.478	5	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F){1|O<2>,2|C<3>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	118.1775	0.053	2	118.1775	0.003	2	119.2618	1.478	5	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(F){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<1>,2|H<1>}	F(C[6a]C[5,6a]C[6a])	118.9710	0.000	1	118.9710	0.000	1	119.2618	1.478	5	120.2314	1.392	32	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,3|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	F(C[6a]C[5,6a]C[6a])	120.2990	0.225	2	120.2990	0.051	2	120.2990	0.051	2	120.5828	0.167	13	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]F)(F)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	F(C[6a]C[5,6a]C[6a])	120.4720	0.008	2	120.4720	0.000	2	120.4720	0.000	2	120.5828	0.167	13	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]F)(F)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]F)(F){1|F<1>,2|N<3>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	F(C[6a]C[5,6a]C[6a])	120.5267	0.540	4	120.5267	0.291	4	120.5267	0.291	4	120.5828	0.167	13	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|O<3>,4|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	F(C[6a]C[5,6a]C[6a])	120.9562	0.180	4	120.9562	0.032	4	120.9562	0.032	4	120.5828	0.167	13	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	F	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(F)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F)	F(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	F(C[6a]C[5,6a]C[6a])	120.1020	0.000	1	120.1020	0.000	1	120.1020	0.000	1	120.5828	0.167	13	120.8134	2.188	230	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	F(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	F(C[6a]C[5a,6a]N[6a])	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	120.1061	0.836	9	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(F){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|C<2>,1|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	117.9860	0.000	1	117.9860	0.000	1	119.9890	0.815	8	120.1061	0.836	9	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.1058	0.120	4	120.1277	0.041	6	119.9890	0.815	8	120.1061	0.836	9	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(F){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.1715	0.392	2	120.1277	0.041	6	119.9890	0.815	8	120.1061	0.836	9	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]F)(F){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	121.1600	0.000	1	121.1600	0.000	1	119.9890	0.815	8	120.1061	0.836	9	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	F(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	F(C[6a]C[5a,6a]2)	117.7397	0.275	3	117.7397	0.075	3	117.7397	0.075	3	119.8027	1.938	15	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a])	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]){1|B<4>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.1840	0.267	3	120.1840	0.071	3	120.3185	1.002	12	119.8027	1.938	15	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<3>,2|F<1>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	120.4830	0.011	2	120.7431	0.061	8	120.3185	1.002	12	119.8027	1.938	15	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<4>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	121.1620	0.000	1	120.7431	0.061	8	120.3185	1.002	12	119.8027	1.938	15	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.7634	0.166	5	120.7431	0.061	8	120.3185	1.002	12	119.8027	1.938	15	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a])	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|Cl<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]O[5a]){2|C<3>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	117.3250	0.000	1	117.3250	0.000	1	120.3185	1.002	12	119.8027	1.938	15	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	F(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	F(C[6a]C[5a,6a]2)	119.8560	0.000	1	120.9543	0.966	3	120.9543	0.966	3	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	F(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]2)	121.5035	0.350	2	120.9543	0.966	3	120.9543	0.966	3	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<3>,2|F<1>,4|C<3>}	F(C[6a]C[5a,6a]C[6a])	121.9910	0.000	1	121.9910	0.000	1	121.9910	0.000	1	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	121.0890	0.555	72	121.0890	0.308	72	121.0819	0.302	74	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.8480	0.000	1	120.8265	0.001	2	121.0819	0.302	74	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	120.8050	0.000	1	120.8265	0.001	2	121.0819	0.302	74	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|I<1>,1|O<1>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	125.5870	0.000	1	125.5870	0.000	1	122.0138	7.080	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|C<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	123.0350	0.000	1	122.8294	1.048	5	122.0138	7.080	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	123.7935	0.097	2	122.8294	1.048	5	122.0138	7.080	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){3|C<3>,3|F<1>}	F(C[6a]C[5a,6a]C[6a])	121.7625	0.066	2	122.8294	1.048	5	122.0138	7.080	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)(F){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	118.1880	0.059	2	118.1880	0.004	2	122.0138	7.080	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(F){1|F<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){2|C<3>,3|H<1>}	F(C[6a]C[5a,6a]C[6a])	118.7490	0.082	2	118.7490	0.007	2	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]B[5])(C[6a]C[6a]F){2|F<1>,2|O<2>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	121.8630	0.000	1	121.8630	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.7460	0.000	1	120.7460	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	122.2620	0.000	1	122.2620	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	121.3290	0.000	1	121.3290	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]F){1|Cu<4>,1|C<3>,1|N<2>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	122.0849	1.788	8	122.0849	3.197	8	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	119.5010	0.000	1	119.5010	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.5863	0.559	12	120.7815	0.451	15	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	121.5623	0.543	3	120.7815	0.451	15	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|B<4>,1|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	119.1268	1.189	6	120.1083	1.818	13	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.9496	0.818	7	120.1083	1.818	13	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F){2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	122.0057	1.311	3	122.0057	1.719	3	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.6560	0.000	1	120.7740	0.028	2	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.8920	0.000	1	120.7740	0.028	2	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F){1|N<3>,2|F<1>,4|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.7050	0.040	2	120.7050	0.002	2	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){1|C<3>,4|H<1>}	F(C[6a]C[5a,6a]C[6a])	118.2570	0.000	1	118.2570	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	F(C[6a]C[5a,6a]C[6a])	119.0310	0.000	1	119.0310	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]F){1|Pt<4>,1|F<1>,1|H<1>,2|C<3>}	F(C[6a]C[5a,6a]C[6a])	117.3520	0.000	1	117.3520	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(F){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F){1|N<3>,2|C<3>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	119.2130	0.000	1	119.2130	0.000	1	120.6636	2.159	54	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	122.9530	0.998	6	122.7786	0.385	17	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	122.6835	0.299	11	122.7786	0.385	17	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.5553	0.579	7	120.6031	0.254	10	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.7147	0.333	3	120.6031	0.254	10	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	121.5370	0.676	2	121.5370	0.457	2	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.6295	0.559	2	120.9919	0.224	11	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	121.3950	0.119	5	120.9919	0.224	11	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.7640	0.223	2	120.9919	0.224	11	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	120.5745	0.542	2	120.9919	0.224	11	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	118.6045	0.431	2	118.6045	0.185	2	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	119.9530	0.000	1	119.9530	0.000	1	121.4980	1.647	43	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|Pt<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F){1|H<1>,2|C<3>,2|F<1>}	F(C[6a]C[5a,6a]C[6a])	122.1340	0.000	1	122.1340	0.000	1	120.9779	2.089	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	122.0760	0.279	3	122.0760	0.078	3	120.9779	2.089	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	121.5690	0.000	1	121.5690	0.000	1	120.9779	2.089	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	118.9580	0.047	2	118.9580	0.002	2	120.9779	2.089	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]F){1|F<1>,2|C<3>,2|H<1>}	F(C[6a]C[5a,6a]C[6a])	119.9760	0.000	1	119.9760	0.000	1	120.9779	2.089	8	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	F(C[6a]C[5a,6a]C[6a])	122.1733	0.621	3	122.1733	0.386	3	121.7927	0.837	4	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F){1|F<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|F<1>,1|O<2>,5|C<3>}	F(C[6a]C[5a,6a]C[6a])	120.6510	0.000	1	120.6510	0.000	1	121.7927	0.837	4	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	830	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	F	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:F-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]F)(F)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)	F(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F){1|O<1>,2|F<1>,3|C<3>}	F(C[6a]C[5a,6a]C[6a])	125.3870	0.000	1	125.3870	0.000	1	125.3870	0.000	1	121.1309	1.637	196	120.9879	1.775	221	120.8982	1.985	452
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5])	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|Se<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	123.2790	0.668	2	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[5,6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C)	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	123.2790	0.668	2	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	119.7620	0.000	1	119.7620	0.000	1	119.7620	0.000	1	121.1315	3.751	2	120.8058	1.420	6	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5010	0.000	1	122.5010	0.000	1	122.5010	0.000	1	121.1315	3.751	2	120.8058	1.420	6	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.7080	0.141	2	120.7080	0.020	2	120.7080	0.020	2	121.0727	0.409	3	120.8058	1.420	6	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	121.8020	0.000	1	121.8020	0.000	1	121.8020	0.000	1	121.0727	0.409	3	120.8058	1.420	6	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	120.8058	1.420	6	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	122.2255	0.377	2	122.2255	0.142	2	122.2255	0.142	2	122.2255	0.142	2	121.7003	0.898	3	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	120.6500	0.000	1	120.6500	0.000	1	120.6500	0.000	1	120.6500	0.000	1	121.7003	0.898	3	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){2|C<4>,3|C<3>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	123.6030	0.000	1	123.6030	0.000	1	123.6030	0.000	1	122.4570	2.627	2	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	121.3110	0.000	1	121.3110	0.000	1	121.3110	0.000	1	122.4570	2.627	2	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a])	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	123.2550	0.578	2	123.2550	0.335	2	122.2247	3.352	3	122.2247	3.352	3	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.1640	0.000	1	120.1640	0.000	1	122.2247	3.352	3	122.2247	3.352	3	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	118.7630	0.000	1	119.1252	0.436	4	119.1252	0.436	4	119.1252	0.436	4	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.1450	0.000	1	119.1252	0.436	4	119.1252	0.436	4	119.1252	0.436	4	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	119.2965	1.057	2	119.1252	0.436	4	119.1252	0.436	4	119.1252	0.436	4	120.8255	3.759	10	121.1785	2.756	21
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	119.8607	2.519	6	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	118.6310	0.864	2	118.6310	0.747	2	118.6310	0.747	2	118.6310	0.747	2	119.8607	2.519	6	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6])	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	119.8607	2.519	6	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.4130	0.000	1	120.0100	0.713	2	120.0100	0.713	2	120.0100	0.713	2	119.8607	2.519	6	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,5|H<1>}	120.6070	0.000	1	120.0100	0.713	2	120.0100	0.713	2	120.0100	0.713	2	119.8607	2.519	6	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	122.0350	0.000	1	121.4440	0.699	2	121.4440	0.699	2	121.4440	0.699	2	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	120.8530	0.000	1	121.4440	0.699	2	121.4440	0.699	2	121.4440	0.699	2	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a])	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	122.5390	0.000	1	122.5390	0.000	1	120.9125	5.291	2	120.9125	5.291	2	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a])	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	119.2860	0.000	1	119.2860	0.000	1	120.9125	5.291	2	120.9125	5.291	2	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a,6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H)	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H){2|C<4>,4|C<3>}	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2{2|N<3>,3|C<3>,4|H<1>}	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	119.0952	0.929	6	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	118.7910	0.000	1	119.3512	1.153	4	119.2870	0.886	5	119.0952	0.929	6	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	118.7640	0.000	1	119.3512	1.153	4	119.2870	0.886	5	119.0952	0.929	6	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	119.9250	1.464	2	119.3512	1.153	4	119.2870	0.886	5	119.0952	0.929	6	119.9284	2.370	10	119.9030	2.263	16
643	727	856	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	119.0300	0.000	1	119.0300	0.000	1	119.2870	0.886	5	119.0952	0.929	6	119.9284	2.370	10	119.9030	2.263	16
643	727	856	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5])	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,7|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	115.7043	1.065	6
643	727	856	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6])	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,2|N<3>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	116.2250	0.000	1	116.2250	0.000	1	116.2250	0.000	1	116.2250	0.000	1	116.1022	0.143	5	115.7043	1.065	6
643	727	856	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){3|H<1>,5|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	116.4275	0.012	2	116.4275	0.000	2	116.4275	0.000	2	116.4275	0.000	2	116.1022	0.143	5	115.7043	1.065	6
643	727	856	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	115.7155	0.218	2	115.7155	0.048	2	115.7155	0.048	2	115.7155	0.048	2	116.1022	0.143	5	115.7043	1.065	6
643	727	856	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	116.1260	0.140	2	116.1260	0.020	2	116.1260	0.020	2	116.1260	0.020	2	116.6213	0.486	4	116.6213	0.486	4
643	727	856	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6213	0.486	4	116.6213	0.486	4
643	727	856	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	116.6213	0.486	4	116.6213	0.486	4
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[5,6,6a]C[6a,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[5,6,6a]C[6a,6a])	124.5453	1.392	4	124.5453	1.936	4	124.5453	1.936	4	124.5453	1.936	4	124.5453	1.936	4	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C){1|Pd<4>,3|C<3>}	O(C[6a]C[5,6a]O[6a])	128.8700	0.000	1	128.8700	0.000	1	127.9807	0.612	3	127.9807	0.612	3	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	O(C[6a]C[5,6a]O[6a])	127.5360	0.195	2	127.5360	0.038	2	127.9807	0.612	3	127.9807	0.612	3	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:3:4:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	O(C[6a]C[5,6a]O[6a])	128.0200	0.000	1	128.0200	0.000	1	129.2044	1.061	9	129.2044	1.061	9	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:3:4:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	O(C[6a]C[5,6a]O[6a])	127.6890	0.000	1	127.6890	0.000	1	129.2044	1.061	9	129.2044	1.061	9	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:3:4:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5,6a]O[6a])	128.0740	0.000	1	128.0740	0.000	1	129.2044	1.061	9	129.2044	1.061	9	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:3:4:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	O(C[6a]C[5,6a]O[6a])	129.8428	0.461	6	129.8428	0.212	6	129.2044	1.061	9	129.2044	1.061	9	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a,6a])(O){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	O(C[6a]C[5,6a]O[6a])	127.5490	0.000	1	127.5490	0.000	1	127.5490	0.000	1	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O){4|C<3>}	O(C[6a]C[5,6a]O[6a])	127.0110	0.000	1	127.0110	0.000	1	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[5,6a]O[6a])	127.6470	0.191	2	127.6470	0.036	2	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	O(C[6a]C[5,6a]O[6a])	128.8770	0.000	1	128.8770	0.000	1	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	O(C[6a]C[5,6a]O[6a])	128.6455	0.100	2	128.6455	0.010	2	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	O(C[6a]C[5,6a]O[6a])	128.0590	0.000	1	127.6238	0.136	6	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	O(C[6a]C[5,6a]O[6a])	128.0230	0.000	1	127.6238	0.136	6	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[5,6a]O[6a])	127.4153	0.228	4	127.6238	0.136	6	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	O(C[6a]C[5,6a]O[6a])	129.1810	0.000	1	129.1810	0.000	1	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	3:4:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5,6a]O[6a])	128.4100	0.000	1	128.4100	0.000	1	127.9862	0.459	14	127.9571	0.439	15	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	4:3:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a])(O)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a])(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	O(C[6a]C[5,6a]O[6a])	129.8000	0.000	1	129.8000	0.000	1	129.8000	0.000	1	128.8187	0.310	7	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	4:3:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]O[6a])	128.3817	0.097	3	128.3817	0.009	3	128.6552	0.148	6	128.8187	0.310	7	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:1:	4:3:3:	3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O(C[6a]C[5,6a]O[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[5,6a]O[6a])	128.9287	0.368	3	128.9287	0.136	3	128.6552	0.148	6	128.8187	0.310	7	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5])	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	127.9630	0.110	2	127.9630	0.012	2	127.3511	2.224	17	127.0994	3.020	21	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	127.2418	1.631	14	127.2418	2.659	14	127.3511	2.224	17	127.0994	3.020	21	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]N[6a])	127.6570	0.000	1	127.6570	0.000	1	127.3511	2.224	17	127.0994	3.020	21	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	127.2580	0.000	1	127.2737	0.297	3	127.2737	0.297	3	127.0994	3.020	21	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	127.2815	0.770	2	127.2737	0.297	3	127.2737	0.297	3	127.0994	3.020	21	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5])	O(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	O(C[6a]C[5a,6a]C[5,6a])	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	127.0994	3.020	21	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])	126.6385	0.299	2	126.6385	0.089	2	126.6385	0.089	2	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	125.1450	0.000	1	125.1450	0.000	1	126.4980	3.661	2	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	127.8510	0.000	1	127.8510	0.000	1	126.4980	3.661	2	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[5,6a]N[6a])	126.7502	1.587	4	126.8236	1.042	11	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	126.4857	0.318	3	126.8236	1.042	11	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	127.5600	1.066	2	126.8236	1.042	11	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	O(C[6a]C[5,6a]N[6a])	126.5720	0.000	1	126.8236	1.042	11	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	O(C[6a]C[5,6a]N[6a])	126.9100	0.000	1	126.8236	1.042	11	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	126.4660	0.380	7	126.4660	0.144	7	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ru<6>,1|C<3>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[5,6a]N[6a])	129.4590	0.000	1	129.4590	0.000	1	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ni<6>,1|N<2>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni){1|Ni<6>,1|C<3>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	127.1690	0.120	3	127.1690	0.014	3	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.3220	0.000	1	128.3409	0.698	17	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	O(C[6a]C[5,6a]N[6a])	127.9368	0.852	5	128.3409	0.698	17	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]N[6a])	128.7270	0.000	1	128.3409	0.698	17	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.9516	0.677	5	128.3409	0.698	17	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.1850	0.951	3	128.3409	0.698	17	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]N[6a])	127.8750	1.138	2	128.3409	0.698	17	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	O(C[6a]C[5,6a]N[6a])	128.1860	0.000	1	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.5453	0.359	6	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	O(C[6a]C[5,6a]N[6a])	128.4030	0.665	7	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.8120	1.484	3	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]N[6a])	128.7970	0.000	1	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]N[6a])	126.2820	0.699	3	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,3|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]N[6a])	128.4240	1.379	2	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	127.9182	0.991	5	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	O(C[6a]C[5,6a]N[6a])	128.8250	0.279	5	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.0810	0.000	1	128.2648	0.929	34	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Os<9>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	129.8390	0.000	1	129.8390	0.000	1	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	129.1265	0.093	2	129.1265	0.009	2	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.6594	1.334	5	128.6261	1.967	20	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.3527	1.102	14	128.6261	1.967	20	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|Pt<4>,1|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	132.2880	0.000	1	128.6261	1.967	20	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Re<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	129.2490	0.238	2	129.2490	0.056	2	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Rh<5>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.7770	0.000	1	128.7770	0.000	1	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	130.4560	0.000	1	129.9803	0.838	3	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	130.5600	0.000	1	129.9803	0.838	3	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<9>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	128.9250	0.000	1	129.9803	0.838	3	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Zn<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	129.2490	0.000	1	129.2490	0.000	1	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]Pt)(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]Pt)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]N[6a])	123.7345	2.507	2	123.7345	6.284	2	128.0822	1.974	105	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[5,6a]N[6a])	126.0200	0.000	1	126.0200	0.000	1	126.0200	0.000	1	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(O)	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){1|Br<1>,1|N<2>,5|C<3>}	O(C[6a]C[6a,6a]C[5,6a])	127.2180	0.000	1	127.2180	0.000	1	127.2180	0.000	1	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N){3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])	123.6190	0.000	1	123.6190	0.000	1	124.6545	2.145	2	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){7|C<3>}	O(C[6a]C[6a,6a]C[5,6a])	125.6900	0.000	1	125.6900	0.000	1	124.6545	2.145	2	127.9421	2.202	113	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]N[6a])	124.5070	0.000	1	124.5070	0.000	1	125.1085	0.724	2	124.2132	2.902	5	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	125.7100	0.000	1	125.7100	0.000	1	125.1085	0.724	2	124.2132	2.902	5	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])	122.8110	2.079	2	122.8110	4.322	2	123.6163	4.107	3	124.2132	2.902	5	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO){4|C<3>}	O(C[6a]C[6a,6a]C[5,6a])	125.2270	0.000	1	125.2270	0.000	1	123.6163	4.107	3	124.2132	2.902	5	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[5,6a]N[6a])	123.8040	0.000	1	123.8040	0.000	1	125.3064	2.727	5	124.6050	5.133	6	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5,6a]N[6a])	124.3250	0.506	2	124.3250	0.256	2	125.3064	2.727	5	124.6050	5.133	6	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O){1|C<2>,4|C<3>}	O(C[6a]C[5,6a]N[6a])	127.5200	0.000	1	127.5200	0.000	1	125.3064	2.727	5	124.6050	5.133	6	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	126.5580	0.000	1	126.5580	0.000	1	125.3064	2.727	5	124.6050	5.133	6	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(O){2|H<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]C[5,6a])	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	124.6050	5.133	6	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O){2|H<1>,3|C<3>,4|C<4>}	O(C[6a]C[6a,6a]C[5,6a])	124.0300	0.000	1	124.0300	0.000	1	124.1188	0.895	9	124.0006	0.935	10	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a,6a]C[5,6a])	124.1299	1.011	8	124.1299	1.021	8	124.1188	0.895	9	124.0006	0.935	10	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(O)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a,6a]C[5,6a])	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	124.0006	0.935	10	127.5297	3.535	189	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:2:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.6000	0.000	1	127.6000	0.000	1	127.6753	0.520	3	127.5273	0.434	4	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:2:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.4310	0.000	1	128.4310	0.000	1	127.6753	0.520	3	127.5273	0.434	4	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:2:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	O(C[6a]C[5a,6a]O[6a])	126.9950	0.000	1	126.9950	0.000	1	127.6753	0.520	3	127.5273	0.434	4	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:2:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(O[6a]C[6a,6a])(O){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a]){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]O[6a])	127.0830	0.000	1	127.0830	0.000	1	127.0830	0.000	1	127.5273	0.434	4	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	125.4000	0.000	1	125.4000	0.000	1	125.4000	0.000	1	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]O[6a])	130.7990	0.000	1	130.7990	0.000	1	130.7990	0.000	1	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.0633	0.427	3	128.0633	0.182	3	128.4641	0.346	10	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.6722	0.345	5	128.5037	0.266	6	128.4641	0.346	10	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.6610	0.000	1	128.5037	0.266	6	128.4641	0.346	10	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	129.4290	0.000	1	129.4290	0.000	1	128.4641	0.346	10	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.2130	0.000	1	128.2130	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O){5|C<3>}	O(C[6a]C[5a,6a]O[6a])	129.2290	0.000	1	129.2290	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.4880	0.000	1	128.4880	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O){3|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.3730	0.000	1	127.3730	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O){3|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.2980	0.000	1	127.2980	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O){1|B<4>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.2250	0.000	1	127.2250	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.9955	0.093	2	127.9955	0.009	2	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.1030	0.420	2	128.1030	0.176	2	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]O[6a])	126.9190	0.000	1	126.9190	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.9120	0.000	1	128.1333	0.043	3	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.2440	0.113	2	128.1333	0.043	3	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,4|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.5247	0.354	3	128.4984	0.301	8	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]O[6a])	129.0280	0.815	2	128.4984	0.301	8	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|N<3>,4|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.9010	0.000	1	128.4984	0.301	8	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.2280	0.358	2	128.4984	0.301	8	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O){3|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.1940	0.000	1	128.1940	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	130.3480	0.000	1	130.3480	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]O[6a])	129.6040	0.000	1	129.6040	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	130.0510	0.000	1	130.2505	0.080	2	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){4|C<3>}	O(C[6a]C[5a,6a]O[6a])	130.4500	0.000	1	130.2505	0.080	2	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.8940	0.000	1	127.8940	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]O[6a])	132.0990	0.000	1	132.0990	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]O[6a])	132.4235	0.281	2	132.4235	0.079	2	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]O[6a])	130.0920	0.000	1	130.0920	0.000	1	128.8409	2.097	32	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	O(C[6a]C[5a,6a]O[6a])	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.8170	0.000	1	128.8170	0.000	1	128.8170	0.000	1	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]O[6a])	128.1990	0.014	2	128.1990	0.000	2	128.1990	0.000	2	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	129.2747	0.586	3	129.2747	0.344	3	129.2747	0.344	3	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]O[6a])	131.5830	0.000	1	131.6410	0.007	2	131.6410	0.007	2	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	O(C[6a]C[5a,6a]O[6a])	131.6990	0.000	1	131.6410	0.007	2	131.6410	0.007	2	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	125.8865	0.866	2	125.5150	0.458	4	125.6493	0.333	6	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]O[6a])	125.1435	0.269	2	125.5150	0.458	4	125.6493	0.333	6	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]O[6a])	126.1100	0.000	1	125.9180	0.074	2	125.6493	0.333	6	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	O(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]O[6a])	125.7260	0.000	1	125.9180	0.074	2	125.6493	0.333	6	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:1:	3:3:3:	3:	C[5a,6a]-3:S[6a]-2:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O)	O(C[6a]C[5a,6a]S[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]S[6a])	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	128.4689	2.778	60	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.2727	0.174	6	128.3098	0.032	8	128.0278	0.311	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.4210	0.199	2	128.3098	0.032	8	128.0278	0.311	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.7670	0.000	1	127.2760	0.279	3	128.0278	0.311	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	127.5305	0.412	2	127.2760	0.279	3	128.0278	0.311	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.9923	0.182	3	122.9923	0.033	3	125.7655	3.804	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O){1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.8960	0.000	1	128.8960	0.000	1	125.7655	3.804	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.5196	0.258	5	126.6293	0.126	6	125.7655	3.804	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	O(C[6a]C[5a,6a]N[6a])	127.1780	0.000	1	126.6293	0.126	6	125.7655	3.804	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	125.7720	0.000	1	125.7720	0.000	1	125.7655	3.804	11	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	124.1935	0.405	4	124.1935	0.164	4	124.1935	0.164	4	126.4808	3.781	26	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a])	O(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O){1|C<3>,4|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	O(C[6a]C[5a,6a]C[5,6a])	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	O(C[6a]C[5a,6a]2)	124.3740	0.462	2	124.3740	0.214	2	123.7925	1.477	4	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	O(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	O(C[6a]C[5a,6a]2)	123.2110	1.693	2	123.2110	2.866	2	123.7925	1.477	4	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a])	O(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	O(C[6a]C[5a,6a]2)	123.8390	0.717	2	123.8390	0.514	2	123.6937	0.200	4	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	O(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	O(C[6a]C[5a,6a]2)	123.5485	0.049	2	123.5485	0.002	2	123.6937	0.200	4	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	126.7630	0.000	1	126.7630	0.000	1	126.7630	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])	124.5740	0.000	1	124.5740	0.000	1	124.5740	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[5,6a])	129.3160	0.000	1	129.3160	0.000	1	129.3160	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a])	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a]){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]N[5,6a])	129.6550	0.000	1	129.6550	0.000	1	129.6550	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a])	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]N[5,6a])	128.3430	0.000	1	128.3430	0.000	1	128.3430	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a]){1|N<2>,2|C<3>}	O(C[6a]C[5a,6a]N[5a,6a])	130.6760	0.000	1	130.6760	0.000	1	130.6760	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O){6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6,6a])	126.0690	0.000	1	126.0690	0.000	1	126.0690	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O){6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a,6a])	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	124.0530	0.000	1	124.0530	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.4420	0.000	1	128.3655	0.012	2	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.2890	0.000	1	128.3655	0.012	2	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	129.8240	0.000	1	129.8240	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Cu<5>,1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.9655	0.224	2	127.4972	0.200	10	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Ni<6>,1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.1795	0.465	2	127.4972	0.200	10	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.6248	0.339	4	127.4972	0.200	10	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	127.0915	0.395	2	127.4972	0.200	10	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	125.9850	0.327	3	125.6943	0.410	4	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	124.8220	0.000	1	125.6943	0.410	4	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.5680	1.035	10	128.3341	0.889	45	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.9400	0.000	1	128.3341	0.889	45	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	129.9690	0.000	1	128.3341	0.889	45	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	129.5080	0.000	1	128.3341	0.889	45	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.2025	0.889	31	128.3341	0.889	45	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.6600	0.000	1	128.3341	0.889	45	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<3>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	129.5850	0.000	1	129.5850	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<2>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	125.2205	0.596	2	125.2205	0.355	2	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	125.7130	0.000	1	125.7130	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	125.4770	0.000	1	125.4770	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]Pt)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]Pt)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.8860	0.000	1	126.8860	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.4210	0.000	1	126.4210	0.000	1	127.8274	1.764	70	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	125.2110	0.000	1	124.7693	0.163	3	125.4408	1.151	9	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	124.5485	0.183	2	124.7693	0.163	3	125.4408	1.151	9	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	126.1700	0.000	1	126.1700	0.000	1	125.4408	1.151	9	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	125.3535	1.197	4	125.3535	1.433	4	125.4408	1.151	9	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6a]C[5a,6a]N[6a])	127.0750	0.000	1	127.0750	0.000	1	125.4408	1.151	9	127.0819	4.818	97	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	125.0580	0.000	1	125.0580	0.000	1	122.8804	3.912	5	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,5|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	125.0050	0.000	1	125.0050	0.000	1	122.8804	3.912	5	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	121.0610	0.000	1	121.4463	0.112	3	122.8804	3.912	5	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<3>,4|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	121.6390	0.025	2	121.4463	0.112	3	122.8804	3.912	5	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	123.8700	0.000	1	123.8700	0.000	1	124.9355	0.535	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C){3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	125.5380	0.000	1	125.5380	0.000	1	124.9355	0.535	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	125.1610	0.000	1	125.1610	0.000	1	124.9355	0.535	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]O[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]I)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|I<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]O[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]I){3|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	125.1730	0.000	1	125.1730	0.000	1	124.9355	0.535	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])	126.4810	0.000	1	126.4810	0.000	1	126.4810	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(O){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])	124.3710	0.639	2	124.3710	0.409	2	124.3710	0.409	2	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])	125.8070	0.741	2	125.8070	0.549	2	125.2122	0.667	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])	124.7560	0.000	1	124.7560	0.000	1	125.2122	0.667	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])	124.4790	0.000	1	124.4790	0.000	1	125.2122	0.667	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])	123.8415	0.521	2	123.8415	0.272	2	123.8415	0.272	2	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5a,6a]N[5,6a])	127.6070	0.000	1	127.6070	0.000	1	127.6070	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[5,6a])	126.6090	0.000	1	126.6090	0.000	1	126.6090	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[5,6a])	123.4020	0.426	4	123.4020	0.182	4	123.4020	0.182	4	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	O(C[6a]C[5a,6a]N[5a,6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	O(C[6a]C[5a,6a]N[5a,6a])	125.0120	0.000	1	125.0120	0.000	1	125.0120	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H)	O(C[6a]C[5a,6a]N[5a,6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	O(C[6a]C[5a,6a]N[5a,6a])	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.5640	0.000	1	126.5640	0.000	1	126.5640	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.9026	0.456	8	126.9026	0.208	8	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.0560	0.649	2	126.1442	0.312	5	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.2030	0.633	3	126.1442	0.312	5	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.2150	0.305	4	126.2150	0.093	4	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.7510	0.000	1	127.7510	0.000	1	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.9170	0.000	1	127.0415	0.031	2	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.1660	0.000	1	127.0415	0.031	2	126.6318	0.372	20	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.7230	0.000	1	123.7230	0.000	1	124.7693	0.415	6	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	124.4290	0.000	1	124.4290	0.000	1	124.7693	0.415	6	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	124.9447	0.121	3	124.9447	0.015	3	124.7693	0.415	6	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	125.6300	0.000	1	125.6300	0.000	1	124.7693	0.415	6	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	124.3870	0.000	1	124.3870	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.9215	0.530	2	124.0277	0.174	3	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){5|C<3>}	O(C[6a]C[5a,6a]N[6a])	124.2400	0.000	1	124.0277	0.174	3	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	127.8200	0.000	1	127.8200	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	125.8420	0.000	1	125.8420	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){3|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.5140	0.000	1	128.5140	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	130.5400	0.000	1	129.9355	0.731	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	129.3310	0.000	1	129.9355	0.731	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.9250	0.405	3	126.8090	0.163	4	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.4610	0.000	1	126.8090	0.163	4	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.2720	0.000	1	126.2720	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.2830	0.000	1	126.2830	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.6690	0.467	2	126.6690	0.218	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	125.7920	0.356	6	125.7920	0.127	6	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,4|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.3730	0.000	1	126.4350	1.760	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	125.4970	0.000	1	126.4350	1.760	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	127.2290	0.000	1	127.2290	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.1350	0.000	1	126.1350	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.4497	0.250	3	126.5416	1.588	5	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	O(C[6a]C[5a,6a]N[6a])	125.1795	0.209	2	126.5416	1.588	5	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.1665	0.142	2	127.7164	0.524	14	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.8412	0.247	9	127.7164	0.524	14	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.2250	0.000	1	127.7164	0.524	14	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.4505	0.148	2	127.7164	0.524	14	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	125.6450	0.000	1	124.7810	1.493	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){4|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.9170	0.000	1	124.7810	1.493	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.8600	0.000	1	127.8600	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.0930	0.089	2	126.0930	0.008	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	125.1845	0.684	2	125.1845	0.468	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){1|C<3>,1|S<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	124.3200	0.000	1	124.5940	0.610	3	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	124.7310	1.052	2	124.5940	0.610	3	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.4870	0.000	1	127.4870	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.9800	0.000	1	127.9365	0.004	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.8930	0.000	1	127.9365	0.004	2	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|Br<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.9670	0.000	1	128.9670	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.7110	0.107	2	127.7183	0.015	4	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.7255	0.179	2	127.7183	0.015	4	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.0490	0.000	1	126.0490	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	125.4650	0.000	1	125.4650	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){1|N<3>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.5680	0.000	1	128.5680	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	125.1870	0.000	1	125.1870	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	126.4570	0.000	1	126.4570	0.000	1	126.6964	2.093	69	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.8070	0.000	1	123.7355	0.010	2	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.6640	0.000	1	123.7355	0.010	2	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.7704	0.875	112	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.8445	0.684	2	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.6760	0.000	1	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	128.1755	0.265	2	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.1570	0.000	1	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.3940	0.037	2	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.1113	0.165	6	126.8382	0.744	126	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.9300	0.000	1	127.0334	0.262	73	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.0215	0.503	69	127.0334	0.262	73	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.6010	0.000	1	127.0334	0.262	73	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	126.7090	0.520	2	127.0334	0.262	73	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.3230	0.000	1	127.3230	0.000	1	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.6775	1.097	2	128.6775	1.203	2	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	127.8471	0.663	13	128.0611	0.697	15	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	129.4525	0.107	2	128.0611	0.697	15	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.6360	0.000	1	128.6360	0.000	1	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.5570	0.000	1	128.5570	0.000	1	126.9923	0.796	221	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	126.0760	0.170	2	126.0760	0.029	2	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.7823	0.328	4	128.7823	0.107	4	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	128.0590	0.000	1	128.0590	0.000	1	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Co<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	128.2460	0.000	1	128.2460	0.000	1	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Mg<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.7500	0.000	1	127.7500	0.000	1	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.6300	0.158	2	127.6300	0.025	2	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	125.5130	0.000	1	126.8587	1.360	3	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	127.5315	0.060	2	126.8587	1.360	3	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	128.5080	0.000	1	128.5080	0.000	1	127.7120	1.162	15	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.4680	0.000	1	120.4680	0.000	1	123.3351	2.757	8	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])	122.2080	0.000	1	122.2080	0.000	1	123.3351	2.757	8	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.0670	0.410	2	123.0670	0.168	2	123.3351	2.757	8	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	123.1350	0.000	1	123.1350	0.000	1	123.3351	2.757	8	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]N[6a])	124.9120	1.000	3	124.9120	1.000	3	123.3351	2.757	8	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	863	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O){1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	126.6437	1.922	367	126.9169	2.906	554	127.0592	3.158	747
643	727	874	6:SP2_SP2_SP3	C[6,6a]	C[5,6,6a]	B[6,6]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6,6a]-3:B[6,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a])	B[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6a])(N[6]C[6]2)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(B[6,6]C[6,6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6,6a]B[6,6]C[6a]){1|H<1>,1|N<3>,7|C<3>}	B[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6a])(N[6]C[6]2){10|C<3>,4|H<1>}	113.9220	0.204	2	113.9220	0.041	2	113.9220	0.041	2	113.9220	0.041	2	113.9220	0.041	2	115.5577	8.047	3
643	727	874	6:SP2_SP2_SP3	C[6,6a]	C[5a,6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6,6a]-3:B[6]-4:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6])	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6]){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	115.5577	8.047	3
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:3:	3:3:3:4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SiC[6a]2C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si)	Si(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(CC3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SiC[6a]2C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si){2|H<1>,3|C<3>}	Si(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(CC3)	124.0665	1.033	2	124.0665	1.067	2	124.0665	1.067	2	124.0665	1.067	2	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	Si(C[6a]C[5,6a]C[6a])(CH3)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){1|C<4>,4|C<3>}	Si(C[6a]C[5,6a]C[6a])(CH3)3	117.5550	0.000	1	119.6715	8.959	2	119.6715	8.959	2	119.6715	8.959	2	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	Si(C[6a]C[5,6a]C[6a])(CH3)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(SiC3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){2|C<4>,3|C<3>}	Si(C[6a]C[5,6a]C[6a])(CH3)3	121.7880	0.000	1	119.6715	8.959	2	119.6715	8.959	2	119.6715	8.959	2	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]HH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(H)2	121.2420	0.847	2	121.2420	0.718	2	121.2420	0.718	2	121.2420	0.718	2	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:4:	3:4:4:2:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6a]-3:C-4:C-4:O-2:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(SiCCO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC)	Si(C[6a]C[5,6a]C[6a])(CH3)2(OH)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]Si)(Si[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	Si(C[6a]C[5,6a]C[6a])(CH3)2(OH)	123.9560	0.000	1	123.9560	0.000	1	123.9560	0.000	1	123.9560	0.000	1	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:4:	3:4:4:4:	C[5,6a]-3:C[6a,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	Si(C[6a]C[6a,6a]C[5,6a])(CH3)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(SiC3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	Si(C[6a]C[6a,6a]C[5,6a])(CH3)3	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	123.1495	9.052	6	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:4:	3:4:4:4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(SiC3)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	Si(C[6a]C[5,6a]C[6a])(CC3)(CH3)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(SiC3){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	Si(C[6a]C[5,6a]C[6a])(CC3)(CH3)2	125.1700	0.000	1	125.1700	0.000	1	124.7425	0.366	2	123.1495	9.052	6	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:4:	3:4:4:4:	C[5,6a]-3:C[6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(SiC3)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	Si(C[6a]C[5,6a]C[6a])(CC3)(CH3)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(SiC3){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	Si(C[6a]C[5,6a]C[6a])(CC3)(CH3)2	124.3150	0.000	1	124.3150	0.000	1	124.7425	0.366	2	123.1495	9.052	6	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Si	3:3:4:	3:3:4:	3:4:4:4:	C[6a,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	Si(C[6a]C[6a,6a]C[5,6a])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(SiC3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	Si(C[6a]C[6a,6a]C[5,6a])(CH3)3	124.1153	0.076	3	124.1153	0.006	3	124.1153	0.006	3	123.1495	9.052	6	122.5241	7.060	13	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:2:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(SiC3)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(SiC3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){1|H<1>,4|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	124.0085	0.821	2	124.0085	0.674	2	124.0085	0.674	2	123.9123	0.244	4	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:2:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SiC3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	123.8160	0.140	2	123.8160	0.020	2	123.8160	0.020	2	123.9123	0.244	4	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:2:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:Si-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SiSiCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a])	Si(C[6a]C[5a,6a]C[6a])(SiC[5a]CC)(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SiSiCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(N[5a]S[5a]){1|Si<4>,1|C<3>,1|H<1>}	Si(C[6a]C[5a,6a]C[6a])(SiC[5a]CC)(CH3)2	120.2536	1.043	10	120.2536	1.088	10	120.2536	1.088	10	120.5864	1.657	12	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:2:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a])	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(SiC3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	120.5864	1.657	12	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:2:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a])	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(SiC3){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	120.5864	1.657	12	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	119.5625	0.309	2	119.5625	0.095	2	119.5625	0.095	2	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(SiC3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(SiC3){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3){1|Se<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	130.0677	0.446	4	130.0677	0.199	4	127.6682	10.829	11	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	129.0380	0.587	4	129.0380	0.344	4	127.6682	10.829	11	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|B<3>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	122.5450	0.540	2	122.6423	0.174	3	127.6682	10.829	11	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|C<4>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	122.8370	0.000	1	122.6423	0.174	3	127.6682	10.829	11	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	880	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6a]-3:C[6a]-3:Si-4:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(SiC3)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	Si(C[6a]C[5a,6a]C[6a])(CH3)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){2|H<1>,3|C<3>}	Si(C[6a]C[5a,6a]C[6a])(CH3)3	117.2160	0.000	1	117.2160	0.000	1	117.2160	0.000	1	125.2273	25.619	15	123.2612	17.438	31	123.0434	14.252	44
643	727	887	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	S	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:S-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:B-4:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	117.5785	0.477	2	117.4300	0.180	3	117.4300	0.180	3	117.4300	0.180	3	117.4300	0.180	3	117.4300	0.180	3
643	727	887	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	S	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:S-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:B-4:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(SBC){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	117.1330	0.000	1	117.4300	0.180	3	117.4300	0.180	3	117.4300	0.180	3	117.4300	0.180	3	117.4300	0.180	3
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6,6a]C[6a])(H)	123.8340	0.000	1	122.2700	4.892	2	121.2360	5.654	3	121.2360	5.654	3	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5,6,6a]C[6a])(H)	120.7060	0.000	1	122.2700	4.892	2	121.2360	5.654	3	121.2360	5.654	3	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	O(C[6a]C[5,6,6a]C[6a])(H)	119.1680	0.000	1	119.1680	0.000	1	121.2360	5.654	3	121.2360	5.654	3	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<5>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,5|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	121.0800	0.000	1	118.0885	17.898	2	118.0885	17.898	2	118.0885	17.898	2	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<5>,1|O<2>,5|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	115.0970	0.000	1	118.0885	17.898	2	118.0885	17.898	2	118.0885	17.898	2	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	O(C[6a]C[5,6,6a]2)(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6a]C[5,6,6a]2)(CH3)	120.8432	6.460	17	120.8432	41.735	17	120.8432	41.735	17	120.4387	36.563	20	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	117.4590	0.000	1	117.4590	0.000	1	116.9945	0.432	2	120.4387	36.563	20	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	116.5300	0.000	1	116.5300	0.000	1	116.9945	0.432	2	120.4387	36.563	20	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OS)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OS){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	O(C[6a]C[5,6,6a]C[6a])(SC[6a]OO)	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	120.4387	36.563	20	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	119.4830	1.273	2	119.4830	1.620	2	119.9737	0.888	4	119.9737	0.888	4	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:3:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CCO)	120.4645	0.284	2	120.4645	0.080	2	119.9737	0.888	4	119.9737	0.888	4	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	O(C[6a]C[5,6,6a]2)(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){2|Cl<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[5,6,6a]2)(CH3)	121.8580	0.101	4	121.8580	0.010	4	121.8580	0.010	4	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	117.1820	0.000	1	117.1820	0.000	1	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	116.5280	0.055	2	116.7223	0.115	3	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	117.1110	0.000	1	116.7223	0.115	3	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	117.7670	0.000	1	117.7670	0.000	1	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	118.0510	0.000	1	118.0510	0.000	1	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	116.4010	0.000	1	116.4010	0.000	1	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	117.9660	0.000	1	117.9660	0.000	1	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	116.0825	0.186	2	116.0825	0.035	2	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[5,6,6a]C[6a])(CH3)	117.4560	0.000	1	117.4560	0.000	1	117.0141	0.540	11	118.3058	5.304	15	119.6169	19.841	44	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:2:	3:3:3:	3:1:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O){1|H<1>,4|C<3>}	O(C[6a]C[5,6a]N[6a])(H)	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]N[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[5,6a]N[6a])(CH3)	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]N[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]N[6a])(CCHH)	118.9480	0.124	2	118.9480	0.015	2	118.9480	0.015	2	118.9480	0.015	2	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O(C[6a]C[5,6a]C[6,6a])(H)	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	119.5560	0.308	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	119.5560	0.308	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	120.3230	0.000	1	120.3230	0.000	1	119.7260	0.713	2	119.5560	0.308	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.1290	0.000	1	119.1290	0.000	1	119.7260	0.713	2	119.5560	0.308	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,5|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3310	0.000	1	119.4720	9.364	12	119.4720	9.364	12	120.7264	14.507	16	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.0303	2.779	11	119.4720	9.364	12	119.4720	9.364	12	120.7264	14.507	16	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	126.1505	0.487	2	126.1505	0.237	2	124.4895	13.025	4	120.7264	14.507	16	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	119.1000	0.000	1	122.8285	27.803	2	124.4895	13.025	4	120.7264	14.507	16	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:2:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	126.5570	0.000	1	122.8285	27.803	2	124.4895	13.025	4	120.7264	14.507	16	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])2(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5])	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])2(OH){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	O(C[6a]C[5,6a]2)(H)	122.6920	3.516	2	122.6920	12.360	2	122.6920	12.360	2	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	119.5580	0.000	1	120.2674	0.248	5	120.2674	0.248	5	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	120.4447	0.348	4	120.2674	0.248	5	120.2674	0.248	5	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	123.8205	0.192	2	123.8205	0.037	2	120.8619	3.343	14	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	121.2710	1.413	6	120.3688	2.091	12	120.8619	3.343	14	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	119.4667	0.807	6	120.3688	2.091	12	120.8619	3.343	14	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.6710	0.000	1	119.6710	0.000	1	120.2842	3.881	10	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	120.7555	1.800	4	120.3210	3.373	5	120.2842	3.881	10	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	118.5830	0.000	1	120.3210	3.373	5	120.2842	3.881	10	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.4885	0.006	2	118.4885	0.000	2	120.2842	3.881	10	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	120.4890	0.000	1	120.4890	0.000	1	120.2842	3.881	10	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	124.1000	0.000	1	124.1000	0.000	1	120.2842	3.881	10	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	119.4125	0.215	4	119.4980	0.071	5	119.4980	0.071	5	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	119.8400	0.000	1	119.4980	0.071	5	119.4980	0.071	5	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(H)	120.6010	0.778	2	120.6010	0.605	2	120.6010	0.605	2	120.5348	2.968	38	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	121.4300	0.874	2	121.7513	0.692	3	121.7513	0.692	3	121.0653	0.647	9	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	122.3940	0.000	1	121.7513	0.692	3	121.7513	0.692	3	121.0653	0.647	9	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CNO)	120.5127	0.239	4	120.5127	0.057	4	120.7223	0.334	6	121.0653	0.647	9	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	120.4440	0.000	1	120.4440	0.000	1	120.7223	0.334	6	121.0653	0.647	9	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CNO)	121.8390	0.000	1	121.8390	0.000	1	120.7223	0.334	6	121.0653	0.647	9	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(CH3)	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CCHH)	117.3930	0.397	2	117.3930	0.158	2	119.1325	12.967	20	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.0683	3.639	10	120.0145	18.107	13	119.1325	12.967	20	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.3040	0.583	2	120.0145	18.107	13	119.1325	12.967	20	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.8980	0.000	1	120.0145	18.107	13	119.1325	12.967	20	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.4800	0.000	1	117.4800	0.000	1	119.1325	12.967	20	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.5490	0.007	4	117.5490	0.000	4	119.1325	12.967	20	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6]-4:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	129.1270	0.000	1	129.1270	0.000	1	129.1270	0.000	1	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5]){1|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.5505	0.295	2	115.5505	0.087	2	115.5505	0.087	2	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.7462	1.564	9	124.7462	2.445	9	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	126.2010	0.000	1	126.2010	0.000	1	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.1590	0.000	1	124.1590	0.000	1	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3865	1.736	2	124.3865	3.014	2	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.9015	0.452	2	116.9015	0.204	2	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.9720	0.000	1	116.9720	0.000	1	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.9930	0.000	1	116.4095	0.347	2	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.8260	0.000	1	116.4095	0.347	2	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){3|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.8540	0.000	1	117.8540	0.000	1	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	116.1330	0.000	1	116.3653	1.843	3	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	116.4815	1.899	2	116.3653	1.843	3	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.8560	0.000	1	116.5833	0.057	3	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.4860	0.000	1	116.5833	0.057	3	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.4080	0.000	1	116.5833	0.057	3	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.5583	0.380	3	117.2225	0.202	12	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.1860	0.741	3	117.2225	0.202	12	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.0062	0.300	4	117.2225	0.202	12	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.2060	0.177	2	117.2225	0.202	12	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.8420	0.000	1	122.8005	2.169	2	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.7590	0.000	1	122.8005	2.169	2	119.8568	14.978	39	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:Si-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6a])(SiC[6a]2C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(SiC[6a]2C)	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5])	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	113.0560	0.000	2	113.0560	0.000	2	113.0560	0.000	2	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(CH3)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(CH3)	124.9440	0.000	1	124.9440	0.000	1	123.3555	5.047	2	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O(C[6a]C[5,6a]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(CH3)	121.7670	0.000	1	121.7670	0.000	1	123.3555	5.047	2	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	118.2710	0.000	1	120.9887	23.513	3	121.3205	16.116	4	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	122.3475	5.996	2	120.9887	23.513	3	121.3205	16.116	4	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	122.3160	0.000	1	122.3160	0.000	1	121.3205	16.116	4	119.6343	15.985	73	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	118.4000	0.000	1	118.4000	0.000	1	120.3024	10.768	7	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	120.6195	3.475	6	120.6195	12.078	6	120.3024	10.768	7	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	125.9100	0.000	1	125.9100	0.000	1	125.9100	0.000	1	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	120.9200	0.000	1	120.9200	0.000	1	121.3667	6.677	10	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){2|Cl<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.4330	2.133	2	122.4330	4.548	2	121.3667	6.677	10	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	122.4243	1.390	3	122.4243	1.932	3	121.3667	6.677	10	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	121.7540	0.000	1	121.7540	0.000	1	121.3667	6.677	10	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.7550	0.000	1	117.7550	0.000	1	121.3667	6.677	10	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	120.5495	5.597	2	120.5495	31.324	2	121.3667	6.677	10	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	119.0750	0.000	1	119.0750	0.000	1	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.6810	0.000	1	123.8110	0.034	2	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.9410	0.000	1	123.8110	0.034	2	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	121.2860	0.000	1	121.2860	0.000	1	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.6450	0.000	1	122.6450	0.000	1	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.3150	0.000	2	122.3150	0.000	2	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	122.1575	0.019	2	122.1575	0.000	2	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	125.5575	0.173	2	125.0368	1.536	5	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	124.6015	2.272	2	125.0368	1.536	5	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	124.8660	0.000	1	125.0368	1.536	5	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.9170	0.000	1	119.2820	0.544	3	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	119.4645	0.943	2	119.2820	0.544	3	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	124.8210	0.000	1	124.8210	0.000	1	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6a]C[5,6a]C[6a])(H)	120.2760	0.000	1	120.1230	0.043	3	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	120.0465	0.226	2	120.1230	0.043	3	122.2759	5.442	21	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.7820	1.018	2	117.7820	1.037	2	117.7820	1.037	2	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(H)	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	121.6259	7.650	43	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	118.3060	1.282	7	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	118.1898	0.754	4	118.1898	0.569	4	118.1898	0.569	4	118.3060	1.282	7	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CCH)	116.6050	0.000	1	116.6050	0.000	1	116.6050	0.000	1	118.3060	1.282	7	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|N<2>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	118.8010	0.000	1	118.8010	0.000	1	118.8010	0.000	1	118.3060	1.282	7	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]2)(CH3)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O){1|O<2>,3|C<3>,3|C<4>}	O(C[6a]C[5,6a]2)(CH3)	120.0355	0.803	2	120.0355	0.644	2	120.0355	0.644	2	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	O(C[6a]C[5,6a]2)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC){1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	O(C[6a]C[5,6a]2)(CCHH)	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.5380	0.000	2	116.2412	0.168	4	116.2412	0.168	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.6690	0.000	1	116.2412	0.168	4	116.2412	0.168	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2200	0.000	1	116.2412	0.168	4	116.2412	0.168	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.6135	0.561	2	121.6135	0.314	2	121.6135	0.314	2	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3200	0.000	1	117.2070	1.574	2	116.6250	0.977	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.0940	0.000	1	117.2070	1.574	2	116.6250	0.977	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CHHO)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CHHO)	116.0430	0.049	2	116.0430	0.002	2	116.6250	0.977	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	117.6355	0.153	2	117.6355	0.024	2	119.1615	7.982	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.9850	0.000	1	117.9850	0.000	1	119.1615	7.982	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.3900	0.000	1	123.3900	0.000	1	119.1615	7.982	4	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.6240	0.000	1	120.6240	0.000	1	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|F<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.0730	0.000	1	124.0730	0.000	1	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.5110	0.000	1	115.5110	0.000	1	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.2757	0.499	3	117.2757	0.249	3	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.1840	0.621	19	116.1840	0.385	19	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.7215	0.824	2	120.7215	0.679	2	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.6305	1.552	6	119.6305	2.409	6	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.4520	0.000	1	121.4520	0.000	1	117.6532	5.241	34	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(SO3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(SO3)	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.7600	0.000	1	116.7600	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.5500	0.000	1	123.2125	0.228	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.8750	0.000	1	123.2125	0.228	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.9070	0.632	2	116.9070	0.400	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.4175	0.548	2	117.1648	0.136	5	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<3>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.9963	0.122	3	117.1648	0.136	5	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.0195	0.866	2	116.0195	0.750	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.6310	0.000	1	117.1575	0.132	4	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.1270	0.000	2	117.1575	0.132	4	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){2|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.7450	0.000	1	117.1575	0.132	4	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CCHH)	123.7265	0.803	2	123.7265	0.644	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	117.4350	0.000	1	117.4350	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.3390	0.881	2	117.3823	0.394	3	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.4690	0.000	1	117.3823	0.394	3	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.5940	0.000	1	122.5940	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(CCCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CCCH)	120.9770	0.000	1	120.9770	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.1450	0.055	2	121.1450	0.003	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.8690	0.000	1	122.8690	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.3030	0.000	1	121.3030	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.1620	0.000	1	121.6810	4.387	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.2000	0.000	1	121.6810	4.387	2	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.5360	0.000	1	115.5360	0.000	1	119.0148	7.775	31	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.2010	0.000	1	115.2010	0.000	1	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.7420	0.000	1	117.7420	0.000	1	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.2900	0.000	2	117.2900	0.000	2	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	114.8940	0.000	1	114.8940	0.000	1	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	117.3530	0.040	2	117.2672	0.909	10	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(CCHH)	117.2458	1.080	8	117.2672	0.909	10	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.2983	2.940	3	119.2983	8.645	3	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.1610	0.000	2	120.1610	0.000	2	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.8990	0.000	1	121.8990	0.000	1	117.8669	3.931	21	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.7470	0.000	1	116.7470	0.000	1	117.4273	0.360	3	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.8800	0.000	1	117.8800	0.000	1	117.4273	0.360	3	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.6550	0.000	1	117.6550	0.000	1	117.4273	0.360	3	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	124.3510	0.000	1	124.3510	0.000	1	124.3510	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	117.9070	0.000	1	117.9070	0.000	1	117.9070	0.000	1	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	121.2090	0.000	1	121.2090	0.000	1	122.0675	1.474	2	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	122.9260	0.000	1	122.9260	0.000	1	122.0675	1.474	2	118.3413	6.302	114	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]2)(H)	119.7040	3.360	2	119.9740	7.334	6	119.9740	7.334	6	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]2)(H)	120.1090	2.896	4	119.9740	7.334	6	119.9740	7.334	6	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	118.6910	0.000	1	118.6910	0.000	1	118.3773	0.313	6	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6,6a])(H)	118.0683	0.278	4	118.3146	0.362	5	118.3773	0.313	6	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6,6a])(H)	119.3000	0.000	1	118.3146	0.362	5	118.3773	0.313	6	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH){1|O<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	120.0310	0.130	2	120.0310	0.017	2	120.0310	0.017	2	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	123.8240	0.000	1	123.8240	0.000	1	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	O(C[6a]C[5,6a]C[6a])(H)	115.8200	0.000	1	115.8200	0.000	1	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.4960	0.010	2	118.4960	0.000	2	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	121.1390	0.209	2	121.7450	1.124	3	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	122.9570	0.000	1	121.7450	1.124	3	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.2780	0.000	1	119.2780	0.000	1	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	116.3880	0.000	1	117.0580	0.898	2	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.7280	0.000	1	117.0580	0.898	2	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.1100	0.000	1	118.1100	0.000	1	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.9710	0.000	1	117.9710	0.000	1	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.6515	0.227	2	117.6515	0.052	2	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.3300	0.000	1	118.3300	0.000	1	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.8290	2.862	2	119.8290	8.193	2	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.3830	1.151	2	119.3830	1.325	2	119.1265	4.674	19	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS){5|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(H)	125.2870	0.000	1	125.2870	0.000	1	123.0430	10.071	2	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(H)	120.7990	0.000	1	120.7990	0.000	1	123.0430	10.071	2	119.4188	4.984	35	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	O(C[6a]C[5,6a]2)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])2(OC){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]2)(CCHH)	120.1115	2.063	2	120.1115	4.254	2	120.1115	4.254	2	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO)	O(C[6a]C[5,6a]2)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC){1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5,6a]2)(CCHH)	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.4135	0.151	2	120.4135	0.023	2	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.1210	0.000	1	116.1210	0.000	1	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.6775	0.579	2	116.6775	0.335	2	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8060	0.204	2	116.1168	0.127	13	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2015	0.163	4	116.1168	0.127	13	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2778	0.199	5	116.1168	0.127	13	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8560	0.873	2	116.1168	0.127	13	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2735	0.313	2	116.2735	0.098	2	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH){1|C<3>,1|O<1>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.6040	0.000	1	115.6040	0.000	1	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.7545	0.476	2	117.7545	0.226	2	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.9560	0.000	1	115.9560	0.000	1	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.4690	0.000	1	122.4690	0.000	1	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.2870	0.280	2	120.2870	0.078	2	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.4790	0.000	1	121.4790	0.000	1	117.2843	4.121	28	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(SC[6a]OO)	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8240	0.000	1	115.4270	0.315	2	115.4270	0.315	2	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){1|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.0300	0.000	1	115.4270	0.315	2	115.4270	0.315	2	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	127.2580	0.000	1	127.2580	0.000	1	123.1057	24.893	3	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	121.0295	4.891	2	121.0295	23.922	2	123.1057	24.893	3	117.9144	8.015	37	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.3730	0.000	1	118.3730	0.000	1	121.9387	22.384	3	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O){2|H<1>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	123.7215	5.069	2	123.7215	25.697	2	121.9387	22.384	3	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	123.6730	0.000	1	123.6730	0.000	1	123.6730	0.000	1	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.5750	0.000	1	118.5750	0.000	1	118.0930	0.465	2	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.6110	0.000	1	117.6110	0.000	1	118.0930	0.465	2	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	119.3483	2.733	3	119.0315	5.380	4	118.7918	2.407	8	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	118.0810	0.000	1	119.0315	5.380	4	118.7918	2.407	8	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	118.9500	0.000	1	118.9500	0.000	1	118.7918	2.407	8	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5,6a]C[6a])(H)	118.4570	0.167	2	118.4570	0.028	2	118.7918	2.407	8	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	118.3440	0.000	1	118.3440	0.000	1	118.7918	2.407	8	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(H)	121.4140	0.000	1	121.4140	0.000	1	121.2070	0.086	2	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:1:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(H)	121.0000	0.000	1	121.0000	0.000	1	121.2070	0.086	2	119.7463	6.746	18	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	119.5560	1.437	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	120.4225	0.626	2	120.4225	0.392	2	120.4225	0.392	2	119.5560	1.437	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	119.5560	1.437	4	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]2)(CH3)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[5,6a]2)(CH3)	121.4910	0.201	2	121.4910	0.040	2	121.4910	0.040	2	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3080	0.000	1	116.3080	0.000	1	116.6390	0.219	2	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.9700	0.000	1	116.9700	0.000	1	116.6390	0.219	2	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.7467	0.382	4	117.7467	0.146	4	117.7467	0.146	4	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC){1|P<4>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O){1|O<2>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	124.9470	3.465	8	124.9470	12.003	8	123.7810	15.453	10	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]O){1|O<2>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	119.1170	0.819	2	119.1170	0.670	2	123.7810	15.453	10	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(S[5]C[5,6a]OO)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC){1|S<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(S[5]C[5,6a]OO)(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	128.1008	0.616	6	128.1008	0.379	6	128.1008	0.379	6	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.6760	0.188	2	115.6760	0.035	2	116.1828	0.451	5	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,8|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.0570	0.000	1	116.1330	0.012	2	116.1828	0.451	5	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2090	0.000	1	116.1330	0.012	2	116.1828	0.451	5	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.2960	0.000	1	117.2960	0.000	1	116.1828	0.451	5	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	122.4920	0.000	1	122.4920	0.000	1	118.6197	11.257	3	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){10|H<1>,1|C<4>,2|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.5810	0.000	1	116.5810	0.000	1	118.6197	11.257	3	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.7860	0.000	1	116.7860	0.000	1	118.6197	11.257	3	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.6610	0.000	1	118.6610	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.6970	0.000	1	117.6970	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	119.2030	0.232	2	119.2030	0.054	2	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CCHH)	119.8642	1.182	4	119.8642	1.397	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	121.1383	1.532	3	121.1383	2.348	3	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.0720	0.000	1	119.0720	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.0520	0.000	1	115.9903	0.066	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.9697	0.310	3	115.9903	0.066	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.2740	0.000	1	117.2740	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.0120	0.000	1	115.5718	0.320	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.6310	0.000	1	115.5718	0.320	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.3220	0.799	2	115.5718	0.320	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2310	0.000	1	116.2310	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CCHH)	115.8593	0.193	4	115.8593	0.037	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.0723	0.146	3	116.0018	0.034	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.7900	0.000	1	116.0018	0.034	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.6190	0.000	1	118.0000	0.290	2	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.3810	0.000	1	118.0000	0.290	2	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.9190	0.000	1	116.9190	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.1060	0.000	1	118.1060	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2348	0.377	4	116.2348	0.142	4	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3523	0.457	3	116.3523	0.209	3	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.1870	0.000	1	119.1870	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.2760	0.000	1	119.2760	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.8060	0.000	1	119.8060	0.000	1	117.4362	3.518	44	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(SiC3)	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	3:4:3:	3:4:	C[5a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]C[5,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[5,6a])(CH3)	118.3460	0.311	2	118.3460	0.097	2	118.3460	0.097	2	119.2540	15.740	81	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6,6a])(H)	118.5110	0.368	2	118.5110	0.135	2	118.5110	0.135	2	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,3|H<1>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	125.9790	0.000	1	125.9790	0.000	1	125.9790	0.000	1	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.5565	0.960	2	120.7482	7.242	4	120.7482	7.242	4	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	121.9400	3.889	2	120.7482	7.242	4	120.7482	7.242	4	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.8910	0.000	1	118.8910	0.000	1	117.0565	2.977	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.5320	0.000	1	117.5320	0.000	1	117.0565	2.977	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	113.2170	0.000	1	113.2170	0.000	1	117.0565	2.977	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.1175	0.107	2	118.1175	0.011	2	117.0565	2.977	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	116.8590	0.248	3	116.8590	0.061	3	117.0565	2.977	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(H)	121.4130	0.293	5	121.4130	0.086	5	120.3978	2.394	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,4|C<4>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	118.4710	0.000	1	118.4710	0.000	1	120.3978	2.394	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	117.6860	0.000	1	118.8230	2.586	2	120.3978	2.394	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:1:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(H)	119.9600	0.000	1	118.8230	2.586	2	120.3978	2.394	8	119.3751	7.431	23	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(PNO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(PNO)	120.5440	0.756	4	120.5440	0.572	4	120.5440	0.572	4	120.9240	1.004	6	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	O(C[6a]C[5,6a]C[6a])(CCO)	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	120.9240	1.004	6	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	122.5700	0.000	1	122.5700	0.000	1	122.5700	0.000	1	120.9240	1.004	6	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a,6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]C[5,6a])(CH3)	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC)	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.7440	0.170	2	115.7440	0.029	2	115.7440	0.029	2	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8310	0.382	2	115.8310	0.146	2	115.8310	0.146	2	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.6616	0.257	5	115.6616	0.066	5	116.6654	2.196	8	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>,7|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.8580	0.000	1	118.8580	0.000	1	116.6654	2.196	8	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	118.0785	1.126	2	118.0785	1.269	2	116.6654	2.196	8	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(PRhNO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(PRhNO)	119.8898	1.140	6	119.8898	1.301	6	119.8898	1.301	6	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3845	0.016	2	116.3845	0.000	2	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.9485	0.053	2	115.8990	0.009	3	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8000	0.000	1	115.8990	0.009	3	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.5290	0.000	1	115.9263	0.246	7	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8847	0.581	4	115.9263	0.246	7	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.7080	0.000	2	115.9263	0.246	7	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,7|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.6690	0.000	1	115.6690	0.000	1	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.4900	0.095	2	115.4900	0.009	2	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.0053	0.474	6	116.0053	0.225	6	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.1260	0.000	1	116.1260	0.000	1	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.5230	0.453	2	116.5230	0.205	2	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.1525	0.029	2	116.1525	0.001	2	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.7270	0.000	1	116.7270	0.000	1	116.0309	0.190	27	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(OP)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(PO3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(OP){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	O(C[6a]C[5,6a]C[6a])(PO3)	118.2170	0.291	2	118.2170	0.085	2	119.4094	0.693	8	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(PO3)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	O(C[6a]C[5,6a]C[6a])(PO3)	119.4220	0.526	2	119.4220	0.277	2	119.4094	0.693	8	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(PRhNO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	O(C[6a]C[5,6a]C[6a])(PRhNO)	119.9992	0.290	4	119.9992	0.084	4	119.4094	0.693	8	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	119.0700	0.000	1	119.0700	0.000	1	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.5115	0.350	2	116.5115	0.123	2	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	115.8900	0.526	2	115.8900	0.277	2	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.4160	0.573	2	116.4160	0.328	2	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2645	0.305	2	116.2733	0.172	7	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.2040	0.420	3	116.2733	0.172	7	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3860	0.738	2	116.2733	0.172	7	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.3770	0.000	1	116.3770	0.000	1	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,4|C<3>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.8303	1.093	3	117.0366	0.695	5	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,7|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	117.3460	0.269	2	117.0366	0.695	5	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.5300	0.000	1	116.5300	0.000	1	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.0840	0.000	1	120.0840	0.000	1	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	120.4390	0.000	1	120.4390	0.000	1	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6a]C[5,6a]C[6a])(CH3)	123.2450	0.000	1	123.2450	0.000	1	117.1865	3.316	24	117.1402	3.229	78	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5,6a]	O	3:3:2:	6:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O-2:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,5|B<6>,6|H<1>}	O(C[6a]C[5,6a]C[6a])(CH3)	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	119.1102	9.658	592	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	116.3040	0.000	1	116.3040	0.000	1	117.8532	0.894	5	117.8532	0.894	5	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]N[6a])(CH3)	117.5840	0.000	1	117.5840	0.000	1	117.8532	0.894	5	117.8532	0.894	5	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	118.4370	0.000	1	118.4370	0.000	1	117.8532	0.894	5	117.8532	0.894	5	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(CH3)	118.4960	0.000	1	118.4705	0.001	2	117.8532	0.894	5	117.8532	0.894	5	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])(CH3)	118.4450	0.000	1	118.4705	0.001	2	117.8532	0.894	5	117.8532	0.894	5	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(SCOO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(SCOO)	117.5160	0.000	1	117.5160	0.000	1	116.8637	2.063	4	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	115.9670	0.000	1	116.6463	2.811	3	116.8637	2.063	4	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	118.5560	0.000	1	116.6463	2.811	3	116.8637	2.063	4	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	115.4160	0.000	1	116.6463	2.811	3	116.8637	2.063	4	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	125.4080	0.000	1	125.4080	0.000	1	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	117.3900	0.000	1	117.3900	0.000	1	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	117.4380	0.000	1	117.2990	0.039	2	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	117.1600	0.000	1	117.2990	0.039	2	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]N[6a])(CH3)	118.0785	0.781	2	118.1266	0.284	7	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]N[6a])(CH3)	118.3310	0.470	2	118.1266	0.284	7	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]N[6a])(CH3)	118.0223	0.613	3	118.1266	0.284	7	118.5711	5.450	11	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	119.6180	0.000	1	119.6180	0.000	1	119.2460	0.277	2	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	O(C[6a]C[5a,6a]N[6a])(CH3)	118.8740	0.000	1	118.8740	0.000	1	119.2460	0.277	2	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	113.2420	0.000	1	113.2420	0.000	1	113.8833	1.168	3	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	113.2770	0.000	1	113.2770	0.000	1	113.8833	1.168	3	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	115.1310	0.000	1	115.1310	0.000	1	113.8833	1.168	3	117.5605	6.159	21	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	118.0920	0.000	1	118.0920	0.000	1	118.0920	0.000	1	117.4507	0.420	3	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.1300	0.472	2	117.1300	0.223	2	117.1300	0.223	2	117.4507	0.420	3	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	120.0260	0.000	1	120.0260	0.000	1	120.0260	0.000	1	120.0260	0.000	1	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	126.1784	0.389	5	126.1784	0.151	5	125.9115	5.099	11	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	119.3090	0.000	1	122.8915	25.669	2	125.9115	5.099	11	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	126.4740	0.000	1	122.8915	25.669	2	125.9115	5.099	11	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC){1|Sn<4>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	127.0880	0.440	4	127.0880	0.193	4	125.9115	5.099	11	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|Cl<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.7260	0.000	1	125.7260	0.000	1	125.7260	0.000	1	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.7350	0.000	1	116.7350	0.000	1	120.0343	4.948	4	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	120.8990	0.006	2	121.1340	0.166	3	120.0343	4.948	4	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){2|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	121.6040	0.000	1	121.1340	0.166	3	120.0343	4.948	4	124.4306	11.263	16	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH){3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[5a,6a]C[6,6a])(H)	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|S<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	123.3100	0.000	1	123.3100	0.000	1	123.7075	0.316	2	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	124.1050	0.000	1	124.1050	0.000	1	123.7075	0.316	2	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6a]C[5a,6a]C[6a])(H)	119.5180	0.000	1	119.2310	0.165	2	119.2310	0.165	2	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]C[6a])(H)	118.9440	0.000	1	119.2310	0.165	2	119.2310	0.165	2	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a]){1|O<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	119.5480	0.000	1	119.5480	0.000	1	117.6975	6.849	2	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[5a,6a]C[6a])(H)	115.8470	0.000	1	115.8470	0.000	1	117.6975	6.849	2	120.1647	7.738	7	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	118.7424	2.094	16	118.7424	4.385	16	118.7424	4.385	16	118.8037	4.175	17	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a])	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a]){1|O<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	119.7850	0.000	1	119.7850	0.000	1	119.7850	0.000	1	118.8037	4.175	17	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a])	O(C[6a]C[5a,6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a]){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]2)(CCHH)	122.4510	0.069	2	122.4510	0.005	2	121.6305	0.959	4	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]2)(CH3)	121.1100	0.000	1	120.8100	0.180	2	121.6305	0.959	4	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]2)(CH3)	120.5100	0.000	1	120.8100	0.180	2	121.6305	0.959	4	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]C[6,6a])(CH3)	126.5610	0.000	1	126.5610	0.000	1	126.5610	0.000	1	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,1|O<2>,3|H<1>}	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	121.6790	3.000	2	121.6790	8.997	2	121.8123	4.552	3	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	122.0790	0.000	1	122.0790	0.000	1	121.8123	4.552	3	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.0490	0.228	4	117.0490	0.052	4	117.0490	0.052	4	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	121.5520	0.894	2	121.5520	0.799	2	120.5353	15.222	8	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]C[6a])(CH3)	124.8480	0.000	1	124.8480	0.000	1	120.5353	15.222	8	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.0830	0.000	1	116.1747	1.049	3	120.5353	15.222	8	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.7205	0.556	2	116.1747	1.049	3	120.5353	15.222	8	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	123.9030	1.806	2	123.9030	3.261	2	120.5353	15.222	8	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:P-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(PC[6a]2O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(PC[6a]2O)	117.6130	0.000	1	117.6130	0.000	1	117.6130	0.000	1	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.0860	0.000	1	123.0860	0.000	1	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	116.5740	0.000	1	116.5740	0.000	1	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.4690	0.000	1	117.0434	0.203	7	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.7703	0.304	4	117.0434	0.203	7	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.0310	0.000	1	117.0434	0.203	7	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.7230	0.000	1	117.0434	0.203	7	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]C[6a])(CH3)	125.7510	0.000	1	125.7510	0.000	1	118.4715	10.375	10	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	114.4280	0.000	1	114.4280	0.000	1	114.3264	0.075	5	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	114.5500	0.195	2	114.5500	0.038	2	114.3264	0.075	5	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	114.0520	0.041	2	114.0520	0.002	2	114.3264	0.075	5	119.0266	13.398	36	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	O(C[6a]C[5a,6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]2)(H)	122.8235	1.063	2	122.8235	1.130	2	122.8235	1.130	2	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6,6a])(H)	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.1170	0.000	1	117.1170	0.000	1	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	115.4175	0.472	2	115.4175	0.222	2	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.3510	0.000	1	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.6990	0.000	1	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.6870	0.000	1	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.5650	0.000	1	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	116.8842	0.422	4	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.0030	0.000	1	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	118.4080	0.237	5	117.6344	0.500	14	117.3432	0.961	17	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[5a,6a]C[6a])(H)	116.8945	0.315	2	116.8945	0.099	2	117.8227	4.921	9	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	115.4880	0.000	1	115.4880	0.000	1	117.8227	4.921	9	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	121.6230	0.214	2	121.6230	0.046	2	117.8227	4.921	9	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	116.9702	0.292	4	116.9702	0.085	4	117.8227	4.921	9	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	125.5210	0.246	2	125.5210	0.061	2	123.3267	14.476	3	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	118.9380	0.000	1	118.9380	0.000	1	123.3267	14.476	3	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){1|Si<4>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	123.5180	0.000	1	123.5180	0.000	1	118.5405	2.837	12	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|C<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.6350	0.000	1	117.7080	0.011	2	118.5405	2.837	12	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){5|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	117.7810	0.000	1	117.7080	0.011	2	118.5405	2.837	12	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	119.0530	0.000	1	118.3618	0.177	8	118.5405	2.837	12	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	118.2630	0.340	7	118.3618	0.177	8	118.5405	2.837	12	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(H)	116.6580	0.000	1	116.6580	0.000	1	118.5405	2.837	12	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(H)	120.8440	0.327	2	120.8440	0.107	2	120.8440	0.107	2	118.5452	5.809	46	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	119.4100	0.000	1	119.4100	0.000	1	119.4100	0.000	1	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,5|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	123.9080	0.000	1	123.9080	0.000	1	123.9080	0.000	1	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	118.4240	0.000	1	118.4240	0.000	1	119.5667	1.688	6	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCO)	119.3850	0.738	2	120.1337	1.954	3	119.5667	1.688	6	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCO)	121.6310	0.000	1	120.1337	1.954	3	119.5667	1.688	6	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CCO)	119.2875	1.452	2	119.2875	2.107	2	119.5667	1.688	6	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	117.7440	0.534	4	117.7440	0.285	4	117.6903	0.557	6	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	117.5830	1.376	2	117.5830	1.893	2	117.6903	0.557	6	119.0614	3.665	14	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[5,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[5,6a])(CH3)	122.7210	0.478	2	122.7210	0.228	2	122.7210	0.228	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]2)(CCHH)	119.3350	0.359	2	119.3350	0.129	2	119.3350	0.129	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]2)(CCHH)	121.1920	0.000	1	121.1920	0.000	1	120.5880	0.730	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]2)(CH3)	119.9840	0.000	1	119.9840	0.000	1	120.5880	0.730	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	O(C[6a]C[5a,6a]2)(CH3)	121.3480	0.000	1	121.4575	0.024	2	121.4575	0.024	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|O<2>,1|S<2>,2|C<3>}	O(C[6a]C[5a,6a]2)(CH3)	121.5670	0.000	1	121.4575	0.024	2	121.4575	0.024	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C)	O(C[6a]C[5a,6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]2)(CH3)	122.3260	0.000	1	122.3260	0.000	1	121.9060	0.353	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H)	O(C[6a]C[5a,6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]2)(CCHH)	121.4860	0.000	1	121.4860	0.000	1	121.9060	0.353	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O)	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]O)(C[5a]N[5a]O){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	119.1460	0.000	1	119.1460	0.000	1	119.1460	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6,6a])(CH3)	118.8620	0.000	1	120.4480	5.031	2	120.4480	5.031	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6,6a])(CH3)	122.0340	0.000	1	120.4480	5.031	2	120.4480	5.031	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	126.5860	0.000	1	126.5860	0.000	1	126.3942	1.981	9	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	126.9610	0.000	1	126.9610	0.000	1	126.3942	1.981	9	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	125.1100	0.000	1	125.1327	3.772	3	126.3942	1.981	9	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	127.0860	0.000	1	125.1327	3.772	3	126.3942	1.981	9	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	123.2020	0.000	1	125.1327	3.772	3	126.3942	1.981	9	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	127.1508	0.541	4	127.1508	0.293	4	126.3942	1.981	9	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.0568	0.824	4	119.0568	0.679	4	119.0568	0.679	4	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]O){1|C<4>,1|O<2>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	119.6370	0.000	1	119.6370	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.0603	0.596	3	119.2562	0.293	5	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.5500	0.417	2	119.2562	0.293	5	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCCH)	116.7900	0.000	1	116.7900	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	114.6585	0.517	2	114.6585	0.267	2	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	114.3350	0.000	1	114.3350	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	117.4940	0.000	1	117.4940	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.6520	0.000	1	116.0327	1.969	3	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.1710	0.000	1	116.0327	1.969	3	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.2750	0.000	1	116.0327	1.969	3	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.7210	0.000	1	116.7210	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.3940	0.000	1	119.3940	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	118.9930	0.000	1	118.9930	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.9900	0.000	1	116.9900	0.000	1	117.4472	3.831	18	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OS){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.6443	0.341	3	115.6443	0.116	3	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	124.3210	0.000	1	124.3210	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	117.6605	0.344	2	119.5946	7.211	18	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Co<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	119.0757	2.503	8	119.5946	7.211	18	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	120.5970	2.950	8	119.5946	7.211	18	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	114.2715	0.037	2	114.2715	0.001	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	115.8830	0.000	1	115.8830	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.3510	0.320	3	115.9238	0.221	9	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Si<4>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.1600	0.000	1	115.9238	0.221	9	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.1985	0.173	2	115.9238	0.221	9	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.1830	0.182	2	115.9238	0.221	9	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.3380	0.000	1	115.9238	0.221	9	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.8400	0.000	1	116.7343	0.621	3	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.1815	0.204	2	116.7343	0.621	3	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	115.1725	0.121	2	115.1725	0.015	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	114.8780	0.000	1	114.8780	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.9850	0.000	1	116.9850	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.0950	0.000	1	115.0680	0.001	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.0410	0.000	1	115.0680	0.001	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.9780	0.000	1	117.9780	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.0400	0.000	1	117.0400	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.1815	0.050	2	115.2250	0.007	3	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.3120	0.000	1	115.2250	0.007	3	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.7465	0.671	2	115.7465	0.450	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.2220	0.000	1	115.2220	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.5200	0.000	1	115.5200	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.4710	0.403	2	116.4710	0.162	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	119.6900	1.246	2	119.6900	1.552	2	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	125.1030	0.000	1	125.1030	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.6370	0.000	1	119.6370	0.000	1	117.4868	7.834	58	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	123.9400	0.000	1	123.9400	0.000	1	123.9400	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(SCOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OS){2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(SCOO)	117.0870	0.000	1	117.0870	0.000	1	117.1360	0.005	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OS){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]C[6a])(SC[6a]OO)	117.1850	0.000	1	117.1850	0.000	1	117.1360	0.005	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	118.0870	0.471	2	117.4083	0.734	4	116.9231	1.455	7	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|Se<2>,2|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.7295	0.371	2	117.4083	0.734	4	116.9231	1.455	7	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.3230	0.000	1	115.3230	0.000	1	116.9231	1.455	7	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CCHH)	115.5350	0.000	1	115.5350	0.000	1	116.9231	1.455	7	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.9710	0.000	1	117.9710	0.000	1	116.9231	1.455	7	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	O(C[6a]C[5a,6a]C[6a])(SCOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(SCOO)	116.7630	0.000	1	116.7630	0.000	1	116.7630	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	121.5120	0.000	1	121.5120	0.000	1	119.1175	11.467	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	116.7230	0.000	1	116.7230	0.000	1	119.1175	11.467	2	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(CH3)	113.6580	0.625	3	113.6580	0.390	3	113.6580	0.390	3	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	119.6290	0.000	1	119.6290	0.000	1	117.9523	4.775	6	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.4600	0.000	1	115.4600	0.000	1	117.9523	4.775	6	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.7110	0.000	1	117.7110	0.000	1	117.9523	4.775	6	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	115.9200	0.000	1	115.9200	0.000	1	117.9523	4.775	6	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	117.7810	0.000	1	117.7810	0.000	1	117.9523	4.775	6	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	121.2130	0.000	1	121.2130	0.000	1	117.9523	4.775	6	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930
643	727	893	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	O	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:O-2:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]C[6a])(CH3)	123.8670	0.000	1	123.8670	0.000	1	123.8670	0.000	1	118.4829	11.813	128	118.8872	11.155	294	119.0637	10.606	930