762	474	790	0:SP2_SP-NON_SP3	C[6,6]	C[5,3x6]	Cl	4:3:1:	3:4:3:3:	3:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	Cl(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	Cl(C[6,6]C[5,3x6]C[6,6])	121.1035	0.146	2	121.1035	0.021	2	121.1035	0.021	2	121.1035	0.021	2	121.1035	0.021	2	116.6379	9.726	7
762	474	790	0:SP2_SP-NON_SP3	C[6]	C[5,6,6]	Cl	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	Cl(C[6]C[5,6,6]C[6])	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	116.6379	9.726	7
762	474	790	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	Cl(C[6]C[5,6]C[6])	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9670	0.743	4	116.6379	9.726	7
762	474	790	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	Cl(C[6]C[5,6]C[6])	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	114.6060	1.469	2	114.9670	0.743	4	116.6379	9.726	7
762	474	790	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	Cl(C[6]C[5,6]C[6])	115.4630	0.000	1	115.4630	0.000	1	115.4630	0.000	1	114.6060	1.469	2	114.9670	0.743	4	116.6379	9.726	7
762	474	790	0:SP2_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	Cl(C[6]C[5,6]C[6])	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	114.9670	0.743	4	116.6379	9.726	7
762	474	818	0:SP2_SP2_SP3	C[6]	C[5,6,6]	C[5]	4:3:3:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[5]-4:C[5]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2){1|C<4>,7|C<3>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	124.0220	0.000	2	124.0220	0.000	2	124.0220	0.000	2	124.0220	0.000	2	124.0220	0.000	2	122.5547	2.414	6
762	474	818	0:SP2_SP2_SP3	C[6]	C[5,6]	C[5]	4:3:3:	3:3:3:3:	3:2:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[5](C[6]C[5,6]C[6])(N[5]C[5])2	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[5](C[6]C[5,6]C[6])(N[5]C[5])2{1|H<1>,1|N<3>,5|C<3>}	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	121.3367	1.397	3	122.5547	2.414	6
762	474	818	0:SP2_SP2_SP3	C[6]	C[5,6]	C[5]	4:3:3:	4:3:3:1:	3:2:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[5](C[6]C[5,6]C[6])(S[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[6]C[5,6]C[6])(S[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	121.3367	1.397	3	122.5547	2.414	6
762	474	818	0:SP2_SP2_SP3	C[6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	122.0850	0.000	1	122.0850	0.000	1	122.0850	0.000	1	122.0850	0.000	1	121.3367	1.397	3	122.5547	2.414	6
762	474	818	0:SP2_SP2_SP3	C[6]	C[5]	C[5,6]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	122.5547	2.414	6
762	474	818	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	118.7750	0.000	1	118.7750	0.000	1	118.7750	0.000	1	118.3280	0.400	2	118.1067	0.347	3	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:3:3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	118.3280	0.400	2	118.1067	0.347	3	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	118.1067	0.347	3	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:4:3:2:	3:4:4:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,5,6]	C[5,6]	4:3:1:	4:4:3:3:	4:3:4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H){3|H<1>,8|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO){2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,5,6]H)(C[5]C[5]2H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6a]-3:C[6]-3:C[5,6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	117.8398	0.290	4	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[5,6]	4:3:4:	4:4:3:4:	4:3:4:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C[5]-4:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[5])(CH3){2|O<2>,5|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH){4|C<4>,7|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6,6]C)(C[5]C[5]HH){2|H<1>,2|O<2>,6|C<4>}	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	117.8398	0.290	4	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6,6]	C[5,6]	4:3:4:	4:4:4:3:	4:4:3:	C[5,6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[5])(CH3){1|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a]H)(C[5]C[5,6a]HH)(C[6]C[5,6,6]C){3|C<3>,4|C<4>}	117.4050	0.000	2	117.4050	0.000	2	117.4050	0.000	2	117.4050	0.000	2	117.8398	0.290	4	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:	3:4:3:3:	4:3:4:	C[5,6]-3:C[5,6]-4:H-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H){1|Si<4>,1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:	4:3:3:1:	3:4:3:	C[5,6]-3:C[5,6]-4:H-1:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H){1|B<4>,3|H<1>,5|C<3>}	123.7010	0.000	1	123.7010	0.000	1	123.7010	0.000	1	123.7010	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:	4:4:3:3:	3:3:2:	C[5,6]-3:C[5,6]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]H)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:4:	4:4:3:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3){2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	114.5803	0.350	4	114.5803	0.122	4	114.5803	0.122	4	114.5803	0.122	4	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]N[5,5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.4300	0.000	1	121.4300	0.000	1	121.4300	0.000	1	118.0960	22.231	2	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:	3:3:3:2:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H)	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5])(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	118.0960	22.231	2	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:	4:3:3:4:	4:3:3:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O){1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:	4:3:4:1:	4:3:2:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:	4:3:4:3:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	115.5450	0.000	1	115.6720	0.032	2	115.6720	0.032	2	115.6720	0.032	2	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:	4:3:4:3:	4:3:4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|O<1>,2|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	115.7990	0.000	1	115.6720	0.032	2	115.6720	0.032	2	115.6720	0.032	2	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:	2:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-3:N-3:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	122.8755	0.960	4	122.8755	0.922	4	122.8755	0.922	4	122.8755	0.922	4	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-3:N-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,7|C<3>}	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:	3:3:4:4:	4:3:3:	C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH){3|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	120.9980	0.000	1	120.9980	0.000	1	120.9980	0.000	1	120.9980	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	818	6:SP2_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:	4:3:3:1:	4:3:2:	C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	118.2393	12.228	23	118.1874	8.774	32
762	474	846	6:SP2_SP2_SP3	C[6,6]	C[5,6]	C[4,6,6]	3:4:4:	3:4:3:4:	4:4:3:	C[4,6,6]-3:C[5,6]-4:C[6]-4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[4,6,6]-4:C[4,6]-4:C[6,6]-3:	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[4,6,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6]C[4,6]C[6]O)(C[6,6]C[5,6]C[6])	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6]C[4,6]C[6]O)(C[6,6]C[5,6]C[6]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1
762	474	856	0:SP2_SP2_SP3	C[6,6]	C[5,6]	N[6]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	116.2490	0.276	2	116.2490	0.076	2	116.2490	0.076	2	116.2490	0.076	2	116.2490	0.076	2	116.7840	4.998	7
762	474	856	0:SP2_SP2_SP3	C[6]	C[5,5]	N[6]	4:3:3:	4:4:2:3:	3:4:1:	C[5,5]-4:N[6]-3:N[6]-3:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H)	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2{1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	118.9470	1.063	2	118.9470	1.131	2	118.9470	1.131	2	118.9470	1.131	2	118.9470	1.131	2	116.7840	4.998	7
762	474	856	0:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:N[6]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	116.7840	4.998	7
762	474	856	0:SP2_SP2_SP3	C[6]	C[5]	N[6]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:S[5]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	116.0035	14.759	2	116.7840	4.998	7
762	474	856	0:SP2_SP2_SP3	C[6]	C[5]	N[6]	4:3:3:	3:4:4:1:	3:3:1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H){2|C<3>,6|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	116.0035	14.759	2	116.7840	4.998	7
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:3:2:4:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	112.0210	0.000	1	112.0210	0.000	1	112.5430	0.545	2	112.5430	0.545	2	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:3:2:4:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	113.0650	0.000	1	113.0650	0.000	1	112.5430	0.545	2	112.5430	0.545	2	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:3:4:2:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	113.5610	0.561	2	112.7922	0.894	4	112.7922	0.894	4	112.7922	0.894	4	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:3:4:2:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	112.0235	0.039	2	112.7922	0.894	4	112.7922	0.894	4	112.7922	0.894	4	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:2:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	3:4:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	109.6040	0.802	4	109.5850	0.621	8	109.5850	0.621	8	109.6060	0.547	9	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.0460	0.000	1	109.5850	0.621	8	109.5850	0.621	8	109.6060	0.547	9	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	108.8130	0.000	2	109.5850	0.621	8	109.5850	0.621	8	109.6060	0.547	9	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){4|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	110.5920	0.000	1	109.5850	0.621	8	109.5850	0.621	8	109.6060	0.547	9	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	109.6060	0.547	9	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){3|H<1>,6|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,4|C<4>,5|H<1>}	111.1040	0.000	1	111.1040	0.000	1	110.9730	0.031	4	110.9730	0.031	4	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	110.9293	0.187	3	110.9293	0.035	3	110.9730	0.031	4	110.9730	0.031	4	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl)	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,9|H<1>}	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	111.6670	0.000	1	111.6670	0.000	1	111.6680	0.000	2	111.6680	0.000	2	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,3x6]	N[6,6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	111.6690	0.000	1	111.6690	0.000	1	111.6680	0.000	2	111.6680	0.000	2	111.0227	2.435	24	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	N[6]	4:3:3:	4:4:3:4:	3:4:3:	C[5,5,6,6]-4:C[6]-3:N[6]-3:	C[5,5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C){1|N<3>,6|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH){10|H<1>,1|C<3>,4|C<4>}	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO){3|H<1>,4|C<4>}	114.6620	0.071	2	114.6620	0.005	2	114.6620	0.005	2	114.6620	0.005	2	114.6620	0.005	2	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:	4:4:4:3:	4:3:4:	C[5,5,6,6]-4:N[6]-3:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:C-4:	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O)	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O)	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	115.8860	0.000	1	115.8860	0.000	1	115.8860	0.000	1	115.8860	0.000	1	115.8860	0.000	1	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,5,6]	N[6,6]	4:3:1:	3:4:3:4:	4:3:4:	C[5,5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[5,5]-4:C[6]-3:C[5]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O)	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O){2|C<3>,5|C<4>,6|H<1>}	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,8|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:	4:3:2:3:	3:3:1:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	116.0632	3.544	6	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	117.9070	0.000	1	117.9070	0.000	1	116.7942	0.422	5	116.7942	0.422	5	116.0632	3.544	6	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	116.5027	0.263	3	116.5027	0.069	3	116.7942	0.422	5	116.7942	0.422	5	116.0632	3.544	6	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:	4:4:4:3:	3:3:1:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	116.5560	0.000	1	116.5560	0.000	1	116.7942	0.422	5	116.7942	0.422	5	116.0632	3.544	6	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:N[6,6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O){3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	3:4:4:3:	4:3:4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[4,5,6]-4:C[6]-3:C-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:3:3:2:	3:3:4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:N[5]-3:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O)	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6])	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3){1|N<3>,1|O<2>,2|C<4>}	117.7115	0.162	2	117.7115	0.026	2	117.7115	0.026	2	117.7115	0.026	2	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:3:3:3:	3:4:4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O)	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	115.9150	0.000	1	115.9150	0.000	1	116.0195	0.022	2	116.0195	0.022	2	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.1240	0.000	1	116.1240	0.000	1	116.0195	0.022	2	116.0195	0.022	2	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:4:4:3:	3:4:4:	C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	126.7370	0.000	1	126.7370	0.000	1	126.7370	0.000	1	126.7370	0.000	1	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:	4:4:4:3:	4:3:4:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[4,5,6]-4:C[6]-3:C-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|Br<1>,1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Br<1>,1|O<1>,4|C<4>,4|H<1>}	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH){2|O<2>,3|H<1>,5|C<4>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	117.5774	14.245	10	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	3:4:1:	3:3:4:1:	4:3:3:	N[6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	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](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|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>}	117.2060	0.000	1	117.2060	0.000	1	117.2535	0.005	2	117.2535	0.005	2	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	3:4:1:	3:3:4:1:	4:3:3:	N[6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[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>}	117.3010	0.000	1	117.3010	0.000	1	117.2535	0.005	2	117.2535	0.005	2	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	3:4:1:	4:3:4:3:	4:3:4:	N[6,6]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.9570	0.337	2	118.9570	0.113	2	118.9570	0.113	2	118.9570	0.113	2	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	3:3:4:1:	3:3:3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	3:3:4:1:	3:3:4:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	3:3:4:1:	4:4:3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	116.5420	0.000	1	116.5420	0.000	1	116.7773	0.397	3	116.7773	0.397	3	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	3:3:4:1:	4:4:3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	117.4910	0.000	1	116.8950	0.710	2	116.7773	0.397	3	116.7773	0.397	3	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	3:3:4:1:	4:4:3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	116.2990	0.000	1	116.8950	0.710	2	116.7773	0.397	3	116.7773	0.397	3	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	3:3:4:4:	4:3:4:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:N[6,6]-3:O-1:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	116.2250	0.000	1	116.2250	0.000	1	118.3523	2.200	6	118.3523	2.200	6	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	119.0660	0.000	2	119.0660	0.000	2	118.3523	2.200	6	118.3523	2.200	6	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	119.5245	0.043	2	119.5245	0.002	2	118.3523	2.200	6	118.3523	2.200	6	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	116.7080	0.000	1	116.7080	0.000	1	118.3523	2.200	6	118.3523	2.200	6	117.2074	4.857	17	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:2:2:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O)	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:2:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	116.6810	0.192	2	116.6810	0.037	2	116.6810	0.037	2	116.6810	0.037	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:2:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	117.0770	0.229	2	117.0770	0.052	2	117.0770	0.052	2	117.0770	0.052	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:2:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	119.3780	0.000	1	118.8950	0.467	2	118.8950	0.467	2	116.4714	6.285	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	118.4120	0.000	1	118.8950	0.467	2	118.8950	0.467	2	116.4714	6.285	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,1|N<3>,4|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	116.4714	6.285	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	114.0710	0.000	1	114.0710	0.000	1	114.0710	0.000	1	116.4714	6.285	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O){1|H<1>,6|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	116.4714	6.285	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:3:	3:4:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O){1|H<1>,2|C<4>,7|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:3:3:4:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|N<3>}	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	114.7040	0.182	2	114.7040	0.033	2	114.7040	0.033	2	114.7040	0.033	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:3:2:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	115.5175	0.342	2	115.5175	0.117	2	115.5175	0.117	2	115.5175	0.117	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	117.1660	0.000	1	117.1660	0.000	1	117.1660	0.000	1	115.3767	3.688	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.3160	0.000	1	115.3613	4.838	6	115.1530	3.700	8	115.3767	3.688	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.3704	2.459	5	115.3613	4.838	6	115.1530	3.700	8	115.3767	3.688	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.1080	0.000	1	115.1080	0.000	1	115.1530	3.700	8	115.3767	3.688	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.9480	0.000	1	113.9480	0.000	1	115.1530	3.700	8	115.3767	3.688	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.5230	0.000	1	116.5230	0.000	1	117.0387	0.881	13	117.0387	0.881	13	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.5885	0.310	2	115.5885	0.096	2	117.0387	0.881	13	117.0387	0.881	13	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.9450	0.000	1	116.9450	0.000	1	117.0387	0.881	13	117.0387	0.881	13	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.6315	0.733	2	116.6315	0.538	2	117.0387	0.881	13	117.0387	0.881	13	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.2650	0.337	3	117.2650	0.114	3	117.0387	0.881	13	117.0387	0.881	13	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.9500	0.689	4	117.9500	0.475	4	117.0387	0.881	13	117.0387	0.881	13	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.1920	0.000	1	115.1920	0.000	1	115.5600	0.231	3	116.1838	0.920	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.1040	0.000	1	116.1040	0.000	1	115.5600	0.231	3	116.1838	0.920	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.3840	0.000	1	115.3840	0.000	1	115.5600	0.231	3	116.1838	0.920	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.7330	0.000	1	116.7330	0.000	1	117.1195	0.299	2	116.1838	0.920	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	117.5060	0.000	1	117.5060	0.000	1	117.1195	0.299	2	116.1838	0.920	5	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	117.4613	1.253	6	117.4613	1.569	6	117.4613	1.569	6	117.1940	1.388	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	116.3920	0.397	2	116.3920	0.158	2	116.3920	0.158	2	117.1940	1.388	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:2:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	117.6505	1.340	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:2:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC)	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	117.6505	1.340	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O){1|Si<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	117.4460	0.652	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	117.4460	0.652	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	115.8740	0.000	1	115.8740	0.000	1	115.8740	0.000	1	115.8740	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	116.8625	0.168	2	116.8625	0.028	2	117.1800	0.316	3	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	117.8150	0.000	1	117.8150	0.000	1	117.1800	0.316	3	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	114.6540	0.000	1	114.6833	0.165	3	114.9243	0.154	6	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	114.2930	0.000	1	114.6833	0.165	3	114.9243	0.154	6	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	115.1030	0.000	1	114.6833	0.165	3	114.9243	0.154	6	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	115.2880	0.027	2	115.1653	0.046	3	114.9243	0.154	6	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	114.9200	0.000	1	115.1653	0.046	3	114.9243	0.154	6	115.6762	1.447	9	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	118.6080	0.000	1	118.6080	0.000	1	117.8855	1.044	2	117.8855	1.044	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:4:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	117.1630	0.000	1	117.1630	0.000	1	117.8855	1.044	2	117.8855	1.044	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:2:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	117.3010	0.161	2	117.3010	0.026	2	117.3010	0.026	2	117.3010	0.026	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:2:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2{1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	115.5565	1.201	2	115.5565	1.443	2	115.5565	1.443	2	115.5565	1.443	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:2:3:3:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H)	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:2:1:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	117.3595	0.030	2	117.3595	0.001	2	117.3595	0.001	2	117.3595	0.001	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:2:4:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	118.9185	0.243	2	118.9185	0.059	2	119.0067	0.053	3	119.0067	0.053	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:2:4:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	119.1830	0.000	1	119.1830	0.000	1	119.0067	0.053	3	119.0067	0.053	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:1:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:2:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5])	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5]){3|C<4>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	118.0160	0.820	2	118.0160	0.673	2	118.0160	0.673	2	118.0160	0.673	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:2:	4:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2{2|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.0337	0.259	4	117.0337	0.067	4	116.6310	0.503	6	116.2033	1.090	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2{2|H<1>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	115.8255	0.606	2	115.8255	0.367	2	116.6310	0.503	6	116.2033	1.090	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>}	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	116.2033	1.090	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.4335	1.245	4	115.4335	1.550	4	115.4335	1.550	4	116.2033	1.090	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	117.0590	0.151	2	117.0590	0.023	2	117.0590	0.023	2	116.5950	1.493	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{2|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	115.2638	0.763	4	116.1765	2.349	6	116.3206	1.753	8	116.5950	1.493	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	118.0020	0.013	2	116.1765	2.349	6	116.3206	1.753	8	116.5950	1.493	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	116.7530	0.175	2	116.7530	0.031	2	116.3206	1.753	8	116.5950	1.493	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	116.5950	1.493	11	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:4:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3)	N[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3){2|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	115.9650	0.000	1	115.9650	0.000	1	115.9650	0.000	1	115.9650	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:4:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|C<4>}	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:3:3:4:	4:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3){3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	116.8040	0.000	1	116.8040	0.000	1	116.8040	0.000	1	116.8040	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	116.7105	0.499	2	116.7105	0.249	2	115.5000	13.812	6	115.3941	11.588	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	110.8975	0.691	2	114.8948	21.471	4	115.5000	13.812	6	115.3941	11.588	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.8920	0.154	2	114.8948	21.471	4	115.5000	13.812	6	115.3941	11.588	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	115.3941	11.588	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	117.0170	0.000	1	117.0170	0.000	1	116.3480	0.895	2	115.2511	1.352	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	115.6790	0.000	1	115.6790	0.000	1	116.3480	0.895	2	115.2511	1.352	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	114.3670	0.449	4	114.8855	1.072	6	114.8855	1.072	6	115.2511	1.352	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	115.9225	1.237	2	114.8855	1.072	6	114.8855	1.072	6	115.2511	1.352	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	117.6620	7.271	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	117.6620	7.271	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	117.6620	7.271	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|O<2>}	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.4955	0.302	2	119.4955	0.091	2	119.4955	0.091	2	117.9924	1.628	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	118.0620	0.883	3	117.3996	1.257	5	117.4913	1.056	6	117.9924	1.628	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	116.4060	0.421	2	117.3996	1.257	5	117.4913	1.056	6	117.9924	1.628	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	117.9500	0.000	1	117.9500	0.000	1	117.4913	1.056	6	117.9924	1.628	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,2|C<3>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	117.7340	3.536	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	116.6720	0.553	2	116.6720	0.306	2	116.6720	0.306	2	117.7340	3.536	3	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	117.4640	0.000	1	117.4640	0.000	1	117.4640	0.000	1	116.7493	0.183	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2{2|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	116.8440	0.242	2	116.8440	0.058	2	116.6302	0.100	6	116.7493	0.183	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	116.5190	0.546	2	116.5190	0.298	2	116.6302	0.100	6	116.7493	0.183	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2{3|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	116.5275	0.081	2	116.5275	0.007	2	116.6302	0.100	6	116.7493	0.183	7	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	118.5307	0.300	3	118.5307	0.090	3	118.6283	0.098	4	118.6283	0.098	4	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	118.9210	0.000	1	118.9210	0.000	1	118.6283	0.098	4	118.6283	0.098	4	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	118.0430	3.406	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	119.7930	0.000	1	119.7930	0.000	1	119.1605	0.626	4	118.0430	3.406	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	118.9497	0.820	3	118.9497	0.672	3	119.1605	0.626	4	118.0430	3.406	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	118.0430	3.406	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	118.1360	0.000	1	118.1360	0.000	1	117.3945	1.100	2	118.0430	3.406	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	116.6530	0.000	1	116.6530	0.000	1	117.3945	1.100	2	118.0430	3.406	8	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	118.6807	0.615	12	118.6807	0.378	12	118.6807	0.378	12	118.5076	0.736	16	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.9880	1.347	4	117.9880	1.814	4	117.9880	1.814	4	118.5076	0.736	16	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:4:	3:3:1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	116.0990	1.329	2	116.0990	1.767	2	116.0990	1.767	2	116.0990	1.767	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3){2|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	116.9520	0.313	4	116.9520	0.098	4	116.9520	0.098	4	116.9520	0.098	4	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	117.3160	0.102	2	117.3160	0.010	2	116.5947	1.566	3	115.7648	3.799	4	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	115.1520	0.000	1	115.1520	0.000	1	116.5947	1.566	3	115.7648	3.799	4	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){2|H<1>,2|N<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	115.7648	3.799	4	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:	4:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:N[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH){1|C<3>,4|H<1>}	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	114.5370	0.000	1	114.5370	0.000	1	114.6475	0.024	2	114.6475	0.024	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:N[6]-3:C-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|C<3>,4|H<1>}	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	114.7580	0.000	1	114.7580	0.000	1	114.6475	0.024	2	114.6475	0.024	2	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:	4:4:3:4:	3:4:4:	C[5,6]-4:N[6]-3:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	116.7720	3.196	188	116.2304	6.547	250
762	474	856	6:SP2_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:3:	4:3:4:4:	3:4:4:	C[5,6,6]-4:C[6]-3:N[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH){3|H<1>,4|C<4>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	116.4470	0.607	3
762	474	856	6:SP2_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.0025	0.169	2	116.0025	0.029	2	116.0025	0.029	2	116.0025	0.029	2	116.0025	0.029	2	116.4470	0.607	3
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:2:1:	4:4:3:1:	3:	C[5,3x6]-4:O[6,6]-2:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	O(C[6,6]C[5,3x6]O[6,6])	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[5,3x6]O[6,6])	126.2195	0.356	2	126.2195	0.127	2	126.2195	0.127	2	126.2195	0.127	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:3:2:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	122.8640	0.000	1	122.8640	0.000	1	122.4690	0.312	2	122.4690	0.312	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:3:2:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	122.0740	0.000	1	122.0740	0.000	1	122.4690	0.312	2	122.4690	0.312	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:3:4:2:	3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	O(C[6,6]C[5,3x6]N[5,6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6,6]C[5,3x6]N[5,6,6])	122.6800	0.047	2	123.3056	0.635	5	123.3056	0.635	5	123.2148	0.375	9	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:3:4:2:	3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	O(C[6,6]C[5,3x6]N[5,6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[5,6,6])	123.7227	0.785	3	123.3056	0.635	5	123.3056	0.635	5	123.2148	0.375	9	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:3:4:2:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	123.0625	0.551	2	123.1012	0.123	4	123.1012	0.123	4	123.2148	0.375	9	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:3:4:2:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	123.1400	0.243	2	123.1012	0.123	4	123.1012	0.123	4	123.2148	0.375	9	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:2:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.9000	0.000	1	124.9000	0.000	1	124.6336	0.370	14	124.6336	0.370	14	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.9404	0.382	7	124.8768	0.157	8	124.6336	0.370	14	124.6336	0.370	14	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){4|H<1>,5|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.4310	0.000	1	124.8768	0.157	8	124.6336	0.370	14	124.6336	0.370	14	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){3|H<1>,6|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	125.2950	0.000	1	125.2950	0.000	1	124.6336	0.370	14	124.6336	0.370	14	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	123.7703	0.453	3	123.7703	0.206	3	124.6336	0.370	14	124.6336	0.370	14	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	3:4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.3510	0.000	1	124.3510	0.000	1	124.6336	0.370	14	124.6336	0.370	14	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	O(C[6,6]C[5,3x6]N[5,6,6])	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	O(C[6,6]C[5,3x6]N[5,6,6])	125.1470	0.000	1	125.3670	0.097	2	125.8085	0.813	4	125.8085	0.813	4	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	O(C[6,6]C[5,3x6]N[5,6,6])	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	O(C[6,6]C[5,3x6]N[5,6,6])	125.5870	0.000	1	125.3670	0.097	2	125.8085	0.813	4	125.8085	0.813	4	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]N[5,6,6])	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	O(C[6,6]C[5,3x6]N[5,6,6])	125.3660	0.000	1	125.3660	0.000	1	125.8085	0.813	4	125.8085	0.813	4	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:3:3:4:	3:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	O(C[6,6]C[5,3x6]N[5,6,6])	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[5,6,6])	127.1340	0.000	1	127.1340	0.000	1	125.8085	0.813	4	125.8085	0.813	4	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,9|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	125.6050	0.000	1	125.6050	0.000	1	125.6050	0.000	1	125.6050	0.000	1	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:4:3:2:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[6,6]-3:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.5200	0.000	1	123.5955	1.709	2	123.5955	1.709	2	123.5955	1.709	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:3:1:	4:4:3:2:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[6,6]-3:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	122.6710	0.000	1	123.5955	1.709	2	123.5955	1.709	2	123.5955	1.709	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:3:3:1:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]HH)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	O(C[6,6]C[5,3x6]C[6,6])	122.2370	0.322	3	122.2370	0.104	3	122.2370	0.104	3	122.2370	0.104	3	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:3:3:2:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]C[6,6])	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:3:3:3:	3:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	O(C[6,6]C[5,3x6]C[3x6])	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	O(C[6,6]C[5,3x6]C[3x6])	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:3:3:4:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	O(C[6,6]C[5,3x6]C[6,6])	125.3060	0.156	2	125.3060	0.024	2	125.3060	0.024	2	125.3060	0.024	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:4:3:3:	3:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	O(C[6,6]C[5,3x6]C[3x6])	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	O(C[6,6]C[5,3x6]C[3x6])	123.6625	0.149	2	123.6625	0.022	2	123.6625	0.022	2	123.6625	0.022	2	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]C)(C[6,6]C[3x6]HH)(O)	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	O(C[6,6]C[5,3x6]C[6,6])	123.1890	0.127	2	123.1890	0.016	2	123.1890	0.016	2	122.4262	2.180	8	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	O(C[6,6]C[5,3x6]C[6,6])	121.3745	0.162	4	121.3745	0.026	4	121.5072	0.108	5	122.4262	2.180	8	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[5,3x6]HH)(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3)	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[5,3x6]HH)(O){2|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	O(C[6,6]C[5,3x6]C[6,6])	122.0380	0.000	1	122.0380	0.000	1	121.5072	0.108	5	122.4262	2.180	8	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH)	O(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[5,3x6]C[6,6])	125.4960	0.000	1	125.4960	0.000	1	125.4960	0.000	1	122.4262	2.180	8	123.7511	2.605	52	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,4x6]	O	4:4:1:	4:4:3:3:	3:	C[5,4x6]-4:C[3,6,6]-4:O-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	O(C[6,6]C[3,6,6]C[5,4x6])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O){1|C<3>,4|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[3,6,6]C[5,4x6])	127.7875	0.288	2	127.7875	0.083	2	127.7875	0.083	2	126.7407	3.329	3	125.0822	6.826	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,4x6]	O	4:4:1:	4:4:3:3:	3:	C[5,4x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CO)(O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	O(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CO)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	O(C[6,6]C[5,4x6]C[6,6])	124.6470	0.000	1	124.6470	0.000	1	124.6470	0.000	1	126.7407	3.329	3	125.0822	6.826	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,4x6]	O	4:4:1:	4:4:4:3:	3:	C[5,4x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	O(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	O(C[6,6]C[5,4x6]C[6,6])	122.6830	0.000	1	122.5945	0.016	2	122.5945	0.016	2	122.5945	0.016	2	125.0822	6.826	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,4x6]	O	4:4:1:	4:4:4:3:	3:	C[5,4x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	O(C[6,6]C[5,4x6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,8|H<1>}	O(C[6,6]C[5,4x6]C[6,6])	122.5060	0.000	1	122.5945	0.016	2	122.5945	0.016	2	122.5945	0.016	2	125.0822	6.826	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	O	4:4:1:	4:3:3:3:	3:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:N[5,5]-3:C[5]-3:	C[6,6]-3:	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C)	O(C[6,6]C[5,5,6,6]C[3x6])	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){2|H<1>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O(C[6,6]C[5,5,6,6]C[3x6])	123.0700	0.000	1	123.0700	0.000	1	123.0700	0.000	1	123.0700	0.000	1	122.1537	0.920	6	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	O	4:4:1:	4:3:3:4:	3:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:N[5,5]-3:C[6,6]-3:C[5]-4:	C[6,6]-3:	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	O(C[6,6]C[5,5,6,6]C[3x6])	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	O(C[6,6]C[5,5,6,6]C[3x6])	123.0075	0.025	2	123.0075	0.001	2	123.0075	0.001	2	123.0075	0.001	2	122.1537	0.920	6	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	O	4:4:1:	4:3:4:4:	3:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[6,6]-3:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	O(C[6,6]C[5,5,6,6]C[3x6])	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O){1|C<3>,2|O<1>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,5,6,6]C[3x6])	121.2260	0.000	1	121.2790	0.002	3	121.2790	0.002	3	121.2790	0.002	3	122.1537	0.920	6	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,5,6,6]	O	4:4:1:	4:3:4:4:	3:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[6,6]-3:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	O(C[6,6]C[5,5,6,6]C[3x6])	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	O(C[6,6]C[5,5,6,6]C[3x6])	121.3055	0.009	2	121.2790	0.002	3	121.2790	0.002	3	121.2790	0.002	3	122.1537	0.920	6	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	3:3:4:4:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[5,6,6]C[6,6])	124.3440	0.000	1	123.7657	0.347	4	123.7657	0.347	4	123.6878	0.290	5	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	3:3:4:4:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[6,6])	123.5730	0.545	3	123.7657	0.347	4	123.7657	0.347	4	123.6878	0.290	5	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	3:3:4:4:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[6,6]-3:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,8|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	123.6878	0.290	5	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	122.1560	0.000	1	122.1560	0.000	1	122.7630	0.737	2	122.7630	0.737	2	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	123.3700	0.000	1	123.3700	0.000	1	122.7630	0.737	2	122.7630	0.737	2	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[4x6]-4:C[5,6,6]-4:O-1:	C[3x6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[6,6]-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O)	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2	O(C[6,6]C[5,6,6]C[4x6])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]2)(O){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[4x6])	120.5440	0.000	1	120.5440	0.000	1	120.5440	0.000	1	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[6,6]-3:	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	O(C[6,6]C[5,6,6]C[4x6])	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O){3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[4x6])	122.8280	0.000	1	122.8280	0.000	1	122.8280	0.000	1	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	123.6290	0.285	4	123.6290	0.081	4	123.6290	0.081	4	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	123.4880	0.000	1	123.1305	0.256	2	123.1305	0.256	2	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	122.7730	0.000	1	123.1305	0.256	2	123.1305	0.256	2	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	122.1130	0.000	1	122.1130	0.000	1	122.1130	0.000	1	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O)	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	O(C[6,6]C[4,6,6]C[5,6,6])	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O){4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[4,6,6]C[5,6,6])	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	122.7662	1.220	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[3x6]-4:C[5,6,6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O)	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O){2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.4280	0.765	2	121.4280	0.585	2	121.4280	0.585	2	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[4x6])	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[5,6,6]C[4x6])	123.3130	0.000	1	123.3130	0.000	1	123.3130	0.000	1	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.8740	0.310	2	121.8573	0.038	6	121.9646	0.112	7	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.9280	0.000	1	121.8573	0.038	6	121.9646	0.112	7	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.6020	0.000	1	121.8573	0.038	6	121.9646	0.112	7	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.9330	0.117	2	121.8573	0.038	6	121.9646	0.112	7	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:2:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	122.6080	0.000	1	122.6080	0.000	1	121.9646	0.112	7	121.9921	0.405	10	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[5,6,6]C[3x6])	124.9177	0.355	4	124.9177	0.126	4	124.9177	0.126	4	124.2852	1.052	6	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	124.2852	1.052	6	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	124.2852	1.052	6	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:3:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:3:3:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[5]-3:C[5]-3:	C[6,6]-3:	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O)	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O){1|H<1>,2|O<1>,6|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2{3|H<1>,4|C<3>}	O(C[6,6]C[5,6,6]C[3x6])	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:1:	3:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H)	O(C[6,6]C[4,6,6]C[5,6,6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O){3|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	O(C[6,6]C[4,6,6]C[5,6,6])	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	121.3240	0.000	1	121.5045	0.065	2	121.5045	0.065	2	121.5045	0.065	2	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:2:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[6,6]-3:	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.6850	0.000	1	121.5045	0.065	2	121.5045	0.065	2	121.5045	0.065	2	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH){1|H<1>,2|C<3>,5|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.4060	0.000	1	121.4060	0.000	1	121.4060	0.000	1	121.8448	1.045	5	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[3x6])	121.3897	0.237	3	121.3897	0.056	3	121.3897	0.056	3	121.8448	1.045	5	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	123.6490	0.000	1	123.6490	0.000	1	123.6490	0.000	1	121.8448	1.045	5	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[3x6]C[4x6]C[6,6]H)(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	O(C[6,6]C[5,6,6]C[3x6])	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[3x6]C[4x6]C[6,6]H)(O){1|Cl<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[3x6])	124.0750	0.000	1	124.0750	0.000	1	124.0750	0.000	1	123.6291	0.334	7	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(O)	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(O){3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	123.7820	0.213	3	123.7820	0.045	3	123.6160	0.415	5	123.6291	0.334	7	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]S[6]H)(O)	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]S[6]H)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	123.3670	1.167	2	123.3670	1.361	2	123.6160	0.415	5	123.6291	0.334	7	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[6,6]-4:C[5,6,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	O(C[6,6]C[5,6,6]C[6,6])	123.2490	0.000	1	123.2490	0.000	1	123.2490	0.000	1	123.6291	0.334	7	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:4:3:2:	3:	C[6,6]-4:C[5,6,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[6,6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2O)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2O)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	O(C[6,6]C[5,6,6]C[6,6])	123.2800	0.000	1	123.2800	0.000	1	123.2800	0.000	1	123.2800	0.000	1	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3)	O(C[6,6]C[5,6,6]C[6,6])	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[6,6]C[5,6,6]C[6,6])	124.9120	0.079	2	124.9120	0.006	2	124.9120	0.006	2	124.9120	0.006	2	122.9132	1.467	54	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:2:1:	4:4:2:3:	3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O(C[6]C[5,3x6]O[6])	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[5,3x6]O[6])	124.4147	0.294	3	124.4147	0.086	3	124.3592	0.234	9	124.3592	0.234	9	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:2:1:	4:4:2:3:	3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O(C[6]C[5,3x6]O[6])	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,3x6]O[6])	124.3190	0.000	1	124.3315	0.337	6	124.3592	0.234	9	124.3592	0.234	9	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:2:1:	4:4:2:3:	3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O(C[6]C[5,3x6]O[6])	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	O(C[6]C[5,3x6]O[6])	123.9570	0.000	1	124.3315	0.337	6	124.3592	0.234	9	124.3592	0.234	9	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:2:1:	4:4:2:3:	3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O(C[6]C[5,3x6]O[6])	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,3x6]O[6])	124.9630	0.460	2	124.3315	0.337	6	124.3592	0.234	9	124.3592	0.234	9	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:2:1:	4:4:2:3:	3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O(C[6]C[5,3x6]O[6])	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,3x6]O[6])	124.1680	0.000	1	124.3315	0.337	6	124.3592	0.234	9	124.3592	0.234	9	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:2:1:	4:4:2:3:	3:	C[5,3x6]-4:O[6]-2:O-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	O(C[6]C[5,3x6]O[6])	C[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(O[6]C[6])(O){4|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,3x6]O[6])	123.6190	0.000	1	124.3315	0.337	6	124.3592	0.234	9	124.3592	0.234	9	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:3:1:	4:3:3:3:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	O(C[6]C[5,3x6]C[6,6a])	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:3:1:	4:4:2:3:	3:	C[5,3x6]-4:C[6]-3:O-1:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	O(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	O(C[6]C[5,3x6]C[6])	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:3:1:	4:4:3:3:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	O(C[6]C[5,3x6]C[6,6a])	120.5975	0.158	2	120.5975	0.025	2	120.5975	0.025	2	120.5975	0.025	2	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|C<3>,7|H<1>}	O(C[6]C[5,3x6]C[6,6a])	118.8743	0.381	6	118.8743	0.145	6	118.8743	0.145	6	118.9985	0.161	8	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:3:1:	4:4:3:4:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,3x6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O(C[6]C[5,3x6]C[6,6a])	119.3710	0.170	2	119.3710	0.029	2	119.3710	0.029	2	118.9985	0.161	8	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,3x6]	O	4:4:1:	4:4:4:3:	3:	C[5,3x6]-4:C[6]-4:O-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(O)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,3x6]C[6])	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(O){1|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O(C[6]C[5,3x6]C[6])	121.5710	0.000	1	121.5710	0.000	1	121.5710	0.000	1	121.5710	0.000	1	121.5461	6.345	22	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6,6]	O	4:3:1:	3:4:2:3:	3:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	O(C[6]C[5,5,6,6]N[5,6])	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,5,6,6]N[5,6])	121.1660	0.000	1	121.0125	0.047	2	121.0125	0.047	2	121.0125	0.047	2	121.3598	0.225	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6,6]	O	4:3:1:	3:4:2:3:	3:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	O(C[6]C[5,5,6,6]N[5,6])	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,5,6,6]N[5,6])	120.8590	0.000	1	121.0125	0.047	2	121.0125	0.047	2	121.0125	0.047	2	121.3598	0.225	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6,6]-4:N[6]-3:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O)	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O)	O(C[6]C[5,5,6,6]N[6])	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,5,6,6](C[3x5,6,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5]O[5,6]H)(C[5]C[5]CH)(C[6]N[6]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,5,6,6]N[6])	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	121.3598	0.225	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O)	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O)	O(C[6]C[5,5,6,6]C[5,6])	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O){2|O<2>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6]O[5,6]2)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(C[6]C[5,6]O){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,5,6,6]C[5,6])	122.0480	0.000	1	122.0480	0.000	1	122.0480	0.000	1	121.5735	0.450	2	121.3598	0.225	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6,6]-4:C[6]-4:O-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,5,6,6]C[6])	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5,5,6,6]C[6])	121.0990	0.000	1	121.0990	0.000	1	121.0990	0.000	1	121.5735	0.450	2	121.3598	0.225	5	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:2:1:	4:2:4:3:	3:	C[5,5,6]-4:O[6]-2:O-1:	C[5,5,6,6]-4:O[5]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O)	O(C[6]C[5,5,6]O[6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O){1|O<1>,2|C<3>,4|C<4>}	O(C[6]C[5,5,6]O[6])	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O)	O(C[6]C[5,5,6]O[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,5,6]O[6])	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	2:3:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	O(C[6]C[5,5,6]C[6])	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[5,5]-4:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O)	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,5,6]N[6,6])	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O){2|C<3>,5|C<4>,6|H<1>}	C[5,5,6](N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,8|H<1>}	O(C[6]C[5,5,6]N[6,6])	123.5220	0.000	1	123.5220	0.000	1	123.5220	0.000	1	123.5220	0.000	1	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	3:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,5,6]C[6])	120.9890	0.000	1	122.9450	7.652	2	122.9450	7.652	2	122.9450	7.652	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	3:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|O<1>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,5,6]C[6])	124.9010	0.000	1	122.9450	7.652	2	122.9450	7.652	2	122.9450	7.652	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,5,6]C[6])	122.5120	0.000	1	122.5120	0.000	1	122.5180	0.000	2	122.5180	0.000	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,6|H<1>}	O(C[6]C[5,5,6]C[6])	122.5240	0.000	1	122.5240	0.000	1	122.5180	0.000	2	122.5180	0.000	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:3:2:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6a]-3:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O){1|H<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O){1|H<1>,1|O<1>,6|C<3>}	O(C[6]C[5,5,6]C[6])	122.0140	0.315	2	122.0140	0.099	2	122.0140	0.099	2	122.3593	0.407	3	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:3:2:3:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	O(C[6]C[5,5,6]N[6])	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	122.3593	0.407	3	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,5,6]C[6,6a])	122.8760	0.000	1	122.8760	0.000	1	122.8760	0.000	1	122.6725	0.083	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C[5]-4:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH){4|C<3>,5|H<1>}	O(C[6]C[5,5,6]C[6,6a])	122.4690	0.000	1	122.4690	0.000	1	122.4690	0.000	1	122.6725	0.083	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	O(C[6]C[5,5,6]C[6,6a])	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	117.9240	0.082	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5])	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,4|C<3>,4|O<2>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5]){2|C<3>,2|O<1>,4|H<1>}	O(C[6]C[5,5,6]C[6,6a])	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	117.9240	0.082	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>}	O(C[6]C[5,5,6]C[6,6a])	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	O(C[6]C[5,5,6]C[6,6a])	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	O(C[6]C[5,5,6]C[6])	122.5665	0.639	2	122.6976	0.348	5	122.6756	0.303	10	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O(C[6]C[5,5,6]C[6])	122.7850	0.680	3	122.6976	0.348	5	122.6756	0.303	10	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	O(C[6]C[5,5,6]C[6])	122.3257	0.499	3	122.6536	0.333	5	122.6756	0.303	10	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	O(C[6]C[5,5,6]C[6])	123.1455	0.163	2	122.6536	0.333	5	122.6756	0.303	10	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<4>,5|C<3>}	O(C[6]C[5,5,6]C[6])	122.0200	0.000	1	122.0200	0.000	1	122.1034	0.204	5	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	O(C[6]C[5,5,6]C[6])	121.9985	0.090	2	122.1243	0.269	4	122.1034	0.204	5	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	O(C[6]C[5,5,6]C[6])	122.2500	0.858	2	122.1243	0.269	4	122.1034	0.204	5	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,5,6]C[6])	126.5250	0.000	1	126.5250	0.000	1	126.5250	0.000	1	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,5,6]N[6])	120.0100	0.000	1	120.0100	0.000	1	121.3252	0.774	5	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O(C[6]C[5,5,6]N[6])	121.8037	0.577	3	121.8037	0.333	3	121.3252	0.774	5	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,5,6]N[6])	121.2050	0.000	1	121.2050	0.000	1	121.3252	0.774	5	122.4545	1.521	22	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[3x5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(O)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[5,5,6]C[6])	124.5240	0.000	2	124.5240	0.000	2	124.5240	0.000	2	122.8432	0.820	12	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,8|H<1>}	O(C[6]C[5,5,6]C[6])	122.3510	0.000	1	122.6309	0.209	8	122.5070	0.249	10	122.8432	0.820	12	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	O(C[6]C[5,5,6]C[6])	122.7278	0.498	6	122.6309	0.209	8	122.5070	0.249	10	122.8432	0.820	12	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	O(C[6]C[5,5,6]C[6])	122.3290	0.000	1	122.6309	0.209	8	122.5070	0.249	10	122.8432	0.820	12	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:2:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	O(C[6]C[5,5,6]C[6])	122.0115	0.400	2	122.0115	0.160	2	122.5070	0.249	10	122.8432	0.820	12	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:3:3:2:	3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	O(C[6]C[5,5,6]C[5,6])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O){2|H<1>,3|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	O(C[6]C[5,5,6]C[5,6])	125.0040	0.000	2	125.0040	0.000	2	125.0040	0.000	2	125.0040	0.000	2	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:3:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	O(C[6]C[5,5,6]C[6])	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,4|H<1>,6|C<4>}	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){12|H<1>,1|C<4>,2|C<3>}	O(C[6]C[5,5,6]C[6])	120.1850	1.452	2	120.4893	1.333	3	120.4893	1.333	3	121.0339	0.841	9	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]HH)(O){4|H<1>,7|C<4>}	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){12|H<1>,4|C<4>}	O(C[6]C[5,5,6]C[6])	121.0980	0.000	1	120.4893	1.333	3	120.4893	1.333	3	121.0339	0.841	9	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5,5,6]C[6])	121.2170	0.000	1	121.9795	1.163	2	121.9795	1.163	2	121.0339	0.841	9	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O){5|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,9|H<1>}	O(C[6]C[5,5,6]C[6])	122.7420	0.000	1	121.9795	1.163	2	121.9795	1.163	2	121.0339	0.841	9	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,5,6]C[6])	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O){5|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O){10|H<1>,1|Si<4>,1|C<2>,1|C<4>}	O(C[6]C[5,5,6]C[6])	120.9695	0.263	4	120.9695	0.069	4	120.9695	0.069	4	121.0339	0.841	9	122.2672	2.327	62	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6,6]-4:N[6]-2:O-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	O(C[6]C[5,6,6]N[6])	117.6827	1.478	3	117.6827	2.184	3	117.6827	2.184	3	119.8660	10.334	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O(C[6]C[5,6,6]O[6])	123.1410	1.103	2	123.1410	1.217	2	123.1410	1.217	2	119.8660	10.334	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:N[6]-2:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]N[6])	124.7720	0.000	1	124.7720	0.000	1	124.7720	0.000	1	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	121.8170	0.000	1	122.6460	1.374	2	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	123.4750	0.000	1	122.6460	1.374	2	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	122.3864	0.463	5	122.4201	0.147	7	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]O[6])	122.5045	0.062	2	122.4201	0.147	7	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	122.6940	0.066	2	121.9022	0.643	6	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	121.4835	1.148	2	121.9022	0.643	6	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]O[6])	121.4650	0.000	1	121.9022	0.643	6	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	O(C[6]C[5,6,6]O[6])	121.5930	0.000	1	121.9022	0.643	6	122.2431	0.479	15	122.4011	0.847	16	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:4:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	122.7420	0.699	2	122.7420	0.488	2	122.4677	0.163	6	122.4677	0.163	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:4:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]O[6])	122.3403	0.226	3	122.3305	0.035	4	122.4677	0.163	6	122.4677	0.163	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:2:1:	4:4:4:3:	3:	C[5,6,6]-4:O[6]-2:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[6]C[5,6,6]O[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]O[6])	122.3010	0.000	1	122.3305	0.035	4	122.4677	0.163	6	122.4677	0.163	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:3:2:4:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	O(C[6]C[5,6,6]C[6,6a])	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:3:3:4:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O(C[6]C[5,6,6]C[6,6a])	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:3:4:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6])	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:4:2:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	O(C[6]C[5,6,6]C[6])	122.4540	0.000	1	122.4540	0.000	1	122.4540	0.000	1	122.4540	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	O(C[6]C[5,6,6]N[5,6])	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]N[5,6])	122.1090	0.000	1	122.1090	0.000	1	120.6060	2.363	5	120.4165	2.106	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	O(C[6]C[5,6,6]N[5,6])	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]N[5,6])	121.2970	1.403	2	120.2302	2.209	4	120.6060	2.363	5	120.4165	2.106	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	O(C[6]C[5,6,6]N[5,6])	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]N[5,6])	119.1635	0.329	2	120.2302	2.209	4	120.6060	2.363	5	120.4165	2.106	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6,6]-4:N[5,6]-3:O-1:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	O(C[6]C[5,6,6]N[5,6])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]N[5,6])	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	120.4165	2.106	6	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	3:4:4:3:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]N[6])	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:2:2:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[5,6,6]C[6,6a])	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:2:	3:	C[5,6,6]-4:N[5,6,6]-3:O-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	O(C[6]C[5,6,6]N[5,6,6])	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]N[5,6,6])	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	120.1650	0.629	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:2:	3:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	O(C[6]C[5,6,6]N[5,6])	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]N[5,6])	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	120.1650	0.629	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:2:	3:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	O(C[6]C[5,6,6]N[5,6])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]N[5,6])	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	120.1650	0.629	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:2:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:N[5]-3:O[6]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O)	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6])	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]N[6])	119.3725	0.336	2	119.3725	0.113	2	119.3725	0.113	2	120.1650	0.629	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){1|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	118.5170	0.000	1	118.5170	0.000	1	119.2590	1.101	2	118.4870	2.339	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	120.0010	0.000	1	120.0010	0.000	1	119.2590	1.101	2	118.4870	2.339	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O)	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	O(C[6]C[5,6,6]N[6])	116.9430	0.000	1	116.9430	0.000	1	116.9430	0.000	1	118.4870	2.339	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6,6a])	117.9170	0.211	4	118.7554	1.005	8	119.3051	1.092	18	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6,6a])	119.5938	0.653	4	118.7554	1.005	8	119.3051	1.092	18	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	O(C[6]C[5,6,6]C[6,6a])	122.1100	0.000	1	122.1100	0.000	1	119.3051	1.092	18	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[5,6,6]C[6,6a])	119.5031	0.366	8	119.5031	0.134	8	119.3051	1.092	18	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[5,6,6]C[6,6a])	119.3130	0.000	1	119.3130	0.000	1	119.3051	1.092	18	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6])	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6,6]C[6])	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6])	119.9020	0.000	1	119.9020	0.000	1	120.5778	0.223	13	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6])	120.6270	0.000	1	120.6270	0.000	1	120.5778	0.223	13	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	120.5272	0.394	8	120.5272	0.156	8	120.5778	0.223	13	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[5,6,6]C[6])	121.4290	0.000	1	121.4290	0.000	1	120.5778	0.223	13	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[5,6,6]C[6])	120.2370	0.000	1	120.2370	0.000	1	120.5778	0.223	13	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6])	121.0980	0.000	1	121.0980	0.000	1	120.5778	0.223	13	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:N[6,6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	O(C[6]C[5,6,6]N[6,6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O){3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(C[6]C[5,6,6]N[6,6])	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]N[6])	118.7240	0.000	1	118.7240	0.000	1	119.8110	0.923	3	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(C[6]C[5,6,6]N[6])	120.5470	0.000	1	120.5470	0.000	1	119.8110	0.923	3	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6,6]N[6])	120.1620	0.000	1	120.1620	0.000	1	119.8110	0.923	3	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]N[6])	121.3790	0.000	1	121.3790	0.000	1	121.3790	0.000	1	119.8622	1.025	38	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6,6]-3:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	O(C[6]C[5,6,6]C[6,6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O){2|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6,6])	117.3930	1.242	2	117.3930	1.542	2	117.3930	1.542	2	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6])	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O){1|C<3>,1|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6])	120.1920	0.000	1	120.1920	0.000	1	121.9535	6.206	2	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6])	123.7150	0.000	1	123.7150	0.000	1	121.9535	6.206	2	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6])	121.7260	0.000	1	121.7260	0.000	1	122.5283	0.494	3	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|O<2>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6])	122.9295	0.149	2	122.9295	0.022	2	122.5283	0.494	3	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,7|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6])	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	120.7851	6.501	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	O(C[6]C[5,6,6]C[6,6a])	119.8580	1.353	2	119.8580	1.832	2	119.8580	1.832	2	120.9150	2.475	4	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6])	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	120.9150	2.475	4	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O){1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6])	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	120.9150	2.475	4	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	O(C[6]C[5,6,6]C[6,6a])	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	120.9288	2.517	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6])	122.2910	0.000	1	122.2910	0.000	1	122.2910	0.000	1	120.9288	2.517	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	120.4860	0.000	1	119.9165	0.649	2	119.8220	0.351	3	120.9288	2.517	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	119.3470	0.000	1	119.9165	0.649	2	119.8220	0.351	3	120.9288	2.517	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,1|S<3>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[6])	119.6330	0.000	1	119.6330	0.000	1	119.8220	0.351	3	120.9288	2.517	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O){2|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6])	119.1370	0.000	1	119.1370	0.000	1	120.4560	3.480	2	121.6590	6.081	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6])	121.7750	0.000	1	121.7750	0.000	1	120.4560	3.480	2	121.6590	6.081	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|Br<1>,1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5]Br)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Br<1>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]N[6])	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	121.6590	6.081	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	3:4:2:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[5,6]HH)(O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6])	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:3:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6])	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6,6]-4:C[3,6]-4:O-1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	O(C[6]C[5,6,6]C[3,6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[3,6])	122.2970	0.531	3	122.2970	0.282	3	122.2970	0.282	3	122.2970	0.282	3	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[3x6]C[3x6]2H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H)	O(C[6]C[5,6,6]C[3x6])	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[3x6]C[3x6]2H)(O){1|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[3x6])	121.2610	0.000	1	121.2610	0.000	1	121.2610	0.000	1	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	O(C[6]C[5,6,6]2)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(O){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]2)	120.5500	0.674	4	120.5500	0.454	4	120.5500	0.454	4	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[5,6,6]C[5,6])	123.1050	0.000	1	123.1050	0.000	1	119.2240	30.124	2	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6,6]C[5,6])	115.3430	0.000	1	115.3430	0.000	1	119.2240	30.124	2	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6,6]C[5,6])	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6,6]C[6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H)	O(C[6]C[5,6,6]C[6,6])	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6,6]C[6]H)(O){5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6,6])	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[3,6]HH)(O)	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[3,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6])	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	120.6421	4.607	10	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[5,6])	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	124.0265	0.057	2	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6])	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	124.0265	0.057	2	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])2(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	O(C[6]C[5,6,6]2)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])2(O){2|C<3>,7|C<4>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,6,6]2)	121.1005	0.460	2	121.1005	0.212	2	121.1005	0.212	2	121.3398	0.758	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]O[6]O)(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3)	O(C[6]C[5,6,6]C[6,6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]O[6]O)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	O(C[6]C[5,6,6]C[6,6])	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	121.3398	0.758	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6])	120.1970	0.000	1	120.1970	0.000	1	121.0700	1.524	2	121.3398	0.758	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[5,6,6]C[6])	121.9430	0.000	1	121.9430	0.000	1	121.0700	1.524	2	121.3398	0.758	5	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6,6]HH)(O)	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6,6]HH)(O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6])	121.0950	0.041	2	121.0950	0.002	2	121.0950	0.002	2	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6])	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){2|C<3>,5|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6])	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|S<4>,3|C<4>,9|H<1>}	O(C[6]C[5,6,6]C[6])	121.2740	2.000	3	121.2740	3.999	3	120.8524	3.597	7	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|C<3>,1|I<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6])	117.6470	0.000	1	117.6470	0.000	1	120.8524	3.597	7	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	O(C[6]C[5,6,6]C[6])	122.1430	0.000	1	122.1430	0.000	1	120.8524	3.597	7	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6])	120.5080	0.000	1	121.1775	0.896	2	120.8524	3.597	7	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6])	121.8470	0.000	1	121.1775	0.896	2	120.8524	3.597	7	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(O)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6])	121.5140	0.000	1	121.5140	0.000	1	121.5761	0.283	10	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	O(C[6]C[5,6,6]C[6])	120.8890	0.000	1	120.8890	0.000	1	121.5761	0.283	10	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6])	121.7655	0.337	2	121.7655	0.114	2	121.5761	0.283	10	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	O(C[6]C[5,6,6]C[6])	121.7180	0.000	1	121.7630	0.349	5	121.5761	0.283	10	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6])	121.7742	0.681	4	121.7630	0.349	5	121.5761	0.283	10	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6])	121.0120	0.000	1	121.0120	0.000	1	121.5761	0.283	10	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O)	O(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6])	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	121.4130	1.495	22	120.9357	3.023	151	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:2:2:1:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	O(C[6]C[5a,6]C[5,6])	120.6805	0.500	2	120.6805	0.250	2	120.6805	0.250	2	120.6805	0.250	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:2:2:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	O(C[6]C[6,6a]C[5,6])	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:2:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[5,6])	120.7690	0.000	1	120.7690	0.000	1	121.4510	0.930	2	121.4510	0.930	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:2:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[5,6])	122.1330	0.000	1	122.1330	0.000	1	121.4510	0.930	2	121.4510	0.930	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	O(C[6]C[6,6a]C[5,6])	122.3170	0.000	1	122.3170	0.000	1	122.3170	0.000	1	120.3625	7.640	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	118.4080	0.000	1	118.4080	0.000	1	118.4080	0.000	1	120.3625	7.640	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	121.2780	0.000	1	121.2780	0.000	1	120.9175	0.260	2	120.9175	0.260	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	120.5570	0.000	1	120.5570	0.000	1	120.9175	0.260	2	120.9175	0.260	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	C[5a,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5a,6]C[5,6])	122.0725	0.952	2	122.0725	0.907	2	121.7163	0.834	3	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	C[5a,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	O(C[6]C[5a,6]C[5,6])	121.0040	0.000	1	121.0040	0.000	1	121.7163	0.834	3	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	121.5840	0.000	1	121.5840	0.000	1	120.7560	0.712	4	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.1735	0.811	2	120.4800	0.611	3	120.7560	0.712	4	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	121.0930	0.000	1	120.4800	0.611	3	120.7560	0.712	4	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	N[6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	O(C[6]C[5,6]N[6,6])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[5,6]N[6,6])	119.6940	0.000	1	119.6940	0.000	1	119.4700	0.100	2	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:1:	3:	N[6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]N[6,6])	119.2460	0.000	1	119.2460	0.000	1	119.4700	0.100	2	120.7903	1.246	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.8345	0.097	2	121.8345	0.009	2	121.8345	0.009	2	121.6255	0.048	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	121.5805	0.135	2	121.5805	0.018	2	121.5805	0.018	2	121.6255	0.048	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:2:	3:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	O(C[6]N[5,6,6]C[5,6])	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]N[5,6,6]C[5,6])	121.6470	0.000	1	121.4615	0.069	2	121.4615	0.069	2	121.6255	0.048	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:3:4:2:	3:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	O(C[6]N[5,6,6]C[5,6])	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]N[5,6,6]C[5,6])	121.2760	0.000	1	121.4615	0.069	2	121.4615	0.069	2	121.6255	0.048	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[5,6])	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	119.6300	0.044	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	119.7310	0.165	2	119.7310	0.027	2	119.7310	0.027	2	119.6300	0.044	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	119.5252	1.742	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	119.5252	1.742	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]C[5,6])	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	119.5252	1.742	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:2:	3:	N[5,6]-3:C[5,6]-4:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS)	O(C[6]C[5,6]N[5,6])	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	119.5252	1.742	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[6]-4:C[5]-3:N[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	119.0445	0.064	2	119.0445	0.004	2	119.0445	0.004	2	119.0445	0.004	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	120.1520	0.000	1	120.1520	0.000	1	119.8825	1.027	4	119.8825	1.027	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	119.3540	0.000	1	119.1025	0.127	2	119.8825	1.027	4	119.8825	1.027	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	118.8510	0.000	1	119.1025	0.127	2	119.8825	1.027	4	119.8825	1.027	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.1730	0.000	1	121.1730	0.000	1	119.8825	1.027	4	119.8825	1.027	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	3:4:4:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH){1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:2:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:Br-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:2:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	119.7173	1.837	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:2:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	119.7500	0.000	1	119.0480	0.986	2	119.0480	0.986	2	119.7173	1.837	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:2:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	118.3460	0.000	1	119.0480	0.986	2	119.0480	0.986	2	119.7173	1.837	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:2:4:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[5,6])	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	116.5270	0.000	1	116.5270	0.000	1	116.9335	0.330	2	118.5570	3.985	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[5,6])	117.3400	0.000	1	117.3400	0.000	1	116.9335	0.330	2	118.5570	3.985	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	118.5570	3.985	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	118.5570	3.985	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.1080	0.546	2	120.1080	0.298	2	120.1080	0.298	2	119.5507	1.132	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	O(C[6]C[6,6a]C[5,6])	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	119.5507	1.132	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	119.5507	1.132	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.3770	0.209	2	120.3770	0.044	2	120.3770	0.044	2	120.3673	0.022	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH){2|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	120.3480	0.000	1	120.3480	0.000	1	120.3480	0.000	1	120.3673	0.022	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[5a,6]C[5,6])	121.6590	0.000	1	121.6590	0.000	1	121.6590	0.000	1	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	119.2180	0.000	1	119.2180	0.000	1	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	120.5320	0.000	1	120.5320	0.000	1	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	120.1260	1.643	2	119.7610	1.750	3	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	119.0310	0.000	1	119.7610	1.750	3	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	122.2625	0.073	2	122.2625	0.005	2	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.2565	1.227	6	121.2030	1.275	7	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.8820	0.000	1	121.2030	1.275	7	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.4910	0.000	1	120.4910	0.000	1	120.8313	1.604	15	120.8831	1.540	16	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.2190	0.000	1	121.2190	0.000	1	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.1380	0.000	1	122.1380	0.000	1	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	120.7025	0.122	2	120.6052	0.818	6	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	119.1540	0.000	1	120.6052	0.818	6	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	120.0500	0.000	1	120.6052	0.818	6	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	121.5110	0.028	2	120.6052	0.818	6	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	O(C[6]C[6,6a]C[5,6])	121.8410	0.192	2	121.8410	0.037	2	121.0670	0.864	10	121.0670	0.864	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:3:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5a,6]C[5,6])	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	120.7240	4.620	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	123.9285	0.177	2	123.9285	0.032	2	123.9285	0.032	2	120.7240	4.620	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<2>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.1970	0.212	2	120.1970	0.045	2	120.1970	0.045	2	120.7240	4.620	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:N[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7240	4.620	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:3:	3:	N[6,6]-3:C[5,6]-4:O-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	O(C[6]C[5,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6,6])	118.4215	0.115	2	118.4215	0.013	2	118.4215	0.013	2	120.7240	4.620	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	120.9770	0.000	1	120.9770	0.000	1	121.9753	0.993	4	121.9753	0.993	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	122.7970	0.465	2	122.7970	0.216	2	121.9753	0.993	4	121.9753	0.993	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:3:4:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){2|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	121.3300	0.000	1	121.3300	0.000	1	121.9753	0.993	4	121.9753	0.993	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	121.3035	0.960	2	121.3035	0.921	2	121.3035	0.921	2	120.6782	0.543	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	120.2055	0.535	2	120.2055	0.287	2	120.4260	0.289	3	120.6782	0.543	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.8670	0.000	1	120.8670	0.000	1	120.4260	0.289	3	120.6782	0.543	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.6782	0.543	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.1495	0.052	2	121.1495	0.003	2	121.1495	0.003	2	121.3544	0.077	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:2:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	O(C[6]C[6,6a]C[5,6])	121.4910	0.286	3	121.4910	0.082	3	121.4910	0.082	3	121.3544	0.077	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O){9|C<3>}	O(C[6]C[6,6a]C[5,6])	120.9030	0.000	1	120.9030	0.000	1	120.9030	0.000	1	120.9030	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	121.5528	0.825	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	121.9923	0.728	3	121.9923	0.530	3	121.5605	1.099	4	121.5528	0.825	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	3:4:1:	4:4:3:4:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<2>,1|S<2>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	O(C[6]C[6,6a]C[5,6])	120.2650	0.000	1	120.2650	0.000	1	121.5605	1.099	4	121.5528	0.825	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	2:3:2:2:	3:	C[5,6]-4:S[6]-2:O-1:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	C[6]-3:	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	O(C[6]C[5,6]S[6])	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]S[6])	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:3:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	O(C[6]C[5,6]O[6])	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	122.3900	6.502	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:3:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]O[6])	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	122.3900	6.502	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:3:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]O[6])	124.9160	0.000	1	124.9160	0.000	1	124.9160	0.000	1	124.9160	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]O[6])	126.8000	0.000	1	126.8000	0.000	1	126.8000	0.000	1	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5,6]O[6])	124.8850	0.000	1	124.7105	0.061	2	123.7835	2.857	6	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]O[6])	124.5360	0.000	1	124.7105	0.061	2	123.7835	2.857	6	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O)	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O){2|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]O[6])	123.5660	0.000	1	123.5660	0.000	1	123.7835	2.857	6	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[5,6]O[6])	122.5850	0.000	1	124.2435	5.501	2	123.7835	2.857	6	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	125.9020	0.000	1	124.2435	5.501	2	123.7835	2.857	6	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5,6]O[6])	121.2270	0.000	1	121.2270	0.000	1	123.7835	2.857	6	124.2144	3.681	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:2:	3:	C[5,6]-4:N[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O){2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	O(C[6]C[5,6]N[6])	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	O(C[6]C[5,6]O[6])	123.3930	0.000	1	123.3930	0.000	1	123.3930	0.000	1	123.3930	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O(C[6]C[5,6]O[6])	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	3:4:4:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	125.5235	0.186	2	125.5235	0.035	2	125.5235	0.035	2	125.5235	0.035	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:2:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	O(C[6]C[5,6]O[6])	119.7550	0.000	1	119.7550	0.000	1	119.7550	0.000	1	119.7550	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:2:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O)	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]O[6])	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:2:4:	3:	C[5,6]-4:N[6]-2:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]N[6])	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O){6|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	O(C[6]C[5,6]O[6])	124.2030	0.809	2	124.2030	0.654	2	124.2030	0.654	2	123.8923	1.838	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]O[6])	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	123.8923	1.838	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	O(C[6]C[5,6]O[6])	125.0770	0.000	1	125.0770	0.000	1	125.0770	0.000	1	123.8923	1.838	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5])	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5]){2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	123.0558	0.363	4	123.0558	0.132	4	123.0558	0.132	4	122.8428	0.130	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5])	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	122.7698	0.298	6	122.7698	0.089	6	122.7364	0.108	8	122.8428	0.130	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]O[6])	122.6360	0.536	2	122.6360	0.287	2	122.7364	0.108	8	122.8428	0.130	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[6]-3:N[5]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO){1|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:4:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){2|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	125.9100	0.000	1	125.4400	0.442	2	125.4400	0.442	2	125.4400	0.442	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:3:4:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]O[6])	124.9700	0.000	1	125.4400	0.442	2	125.4400	0.442	2	125.4400	0.442	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O)	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	O(C[6]C[5,6]O[6])	122.7780	0.000	1	122.7780	0.000	1	122.7780	0.000	1	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]O[6])	120.8570	0.000	1	120.8570	0.000	1	121.1255	0.144	2	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O)	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O(C[6]C[5,6]O[6])	121.3940	0.000	1	121.3940	0.000	1	121.1255	0.144	2	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[5,6]O[6])	124.2300	0.000	1	124.2300	0.000	1	124.2300	0.000	1	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	O(C[6]C[5,6]O[6])	124.6895	0.688	2	124.6895	0.473	2	124.6895	0.473	2	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	O(C[6]C[5,6]O[6])	125.3840	0.000	1	125.3840	0.000	1	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	125.2450	0.000	1	125.0743	0.400	3	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	O(C[6]C[5,6]O[6])	124.9890	0.870	2	125.0743	0.400	3	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	124.6220	0.000	1	124.8390	0.094	2	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	125.0560	0.000	1	124.8390	0.094	2	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	O(C[6]C[5,6]O[6])	124.6800	0.000	1	124.6800	0.000	1	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	127.4190	0.210	3	127.4190	0.044	3	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	O(C[6]C[5,6]O[6])	123.7160	0.228	2	124.1527	0.598	3	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	O(C[6]C[5,6]O[6])	125.0260	0.000	1	124.1527	0.598	3	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,6]O[6])	123.6150	0.595	2	123.6150	0.354	2	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	122.7690	0.000	1	122.7690	0.000	1	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H){1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6]O[6])	122.8280	0.000	1	122.8280	0.000	1	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	124.1465	0.636	2	123.2280	1.332	4	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	122.3095	0.467	2	123.2280	1.332	4	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	123.1730	0.037	2	123.1730	0.001	2	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:1:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]O[6])	121.9680	0.000	1	121.9680	0.000	1	124.3222	2.500	24	124.0193	2.759	31	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]O[6])	125.6370	0.000	1	125.6370	0.000	1	125.6370	0.000	1	122.7410	2.847	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]O[6])	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	122.7410	2.847	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]O[6])(O[6]C[6])(O){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[5,6]O[6])	122.3540	0.000	1	122.3540	0.000	1	122.3540	0.000	1	122.7410	2.847	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:2:	3:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6])	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[5,6]O[6])	122.2150	0.419	2	122.2150	0.175	2	122.2150	0.175	2	122.7410	2.847	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O)	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]O[6])	124.9480	0.841	2	124.9480	0.708	2	124.9480	0.708	2	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	O(C[6]C[5,6]O[6])	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	O(C[6]C[5,6]O[6])	123.4110	0.000	1	123.4110	0.000	1	121.7458	2.069	4	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO){2|C<3>,2|H<1>}	O(C[6]C[5,6]O[6])	121.8185	0.380	2	121.8185	0.144	2	121.7458	2.069	4	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO){1|Br<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	119.9350	0.000	1	119.9350	0.000	1	121.7458	2.069	4	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	O(C[6]C[5,6]O[6])	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	O(C[6]C[5,6]O[6])	125.0910	0.000	1	125.0910	0.000	1	125.0910	0.000	1	122.8408	3.629	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6])	124.7850	0.000	1	124.7850	0.000	1	124.7850	0.000	1	124.8688	5.493	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3){2|C<3>,4|H<1>}	O(C[6]C[5,6]O[6])	128.1820	0.000	1	128.1820	0.000	1	124.8781	6.178	9	124.8688	5.493	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[5,6]O[6])	123.7080	0.076	2	123.7080	0.006	2	124.8781	6.178	9	124.8688	5.493	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<3>,3|H<1>}	O(C[6]C[5,6]O[6])	127.1107	0.266	3	127.1107	0.071	3	124.8781	6.178	9	124.8688	5.493	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH){1|C<4>,3|H<1>}	O(C[6]C[5,6]O[6])	123.0850	0.000	1	123.0850	0.000	1	124.8781	6.178	9	124.8688	5.493	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:3:4:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[5,6]O[6])	121.9440	0.488	2	121.9440	0.238	2	124.8781	6.178	9	124.8688	5.493	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:4:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	O(C[6]C[5,6]O[6])	125.2785	0.285	4	125.2785	0.081	4	125.4010	0.136	5	124.2030	4.277	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:4:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	O(C[6]C[5,6]O[6])	125.8910	0.000	1	125.8910	0.000	1	125.4010	0.136	5	124.2030	4.277	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:2:1:	4:4:4:3:	3:	C[5,6]-4:O[6]-2:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]C[5,6]O[6])	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,4|H<1>}	O(C[6]C[5,6]O[6])	121.2080	0.000	2	121.2080	0.000	2	121.2080	0.000	2	124.2030	4.277	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:2:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	O(C[6]C[5,6]C[6])	118.6030	0.605	2	118.6030	0.366	2	118.6030	0.366	2	118.6030	0.366	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:3:2:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	119.8462	1.064	13	119.8462	1.132	13	120.0910	1.388	15	120.0910	1.388	15	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:3:2:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.6825	0.045	2	121.6825	0.002	2	120.0910	1.388	15	120.0910	1.388	15	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	O(C[6]C[5,6]C[6])	123.1500	0.000	1	123.1500	0.000	1	122.0840	1.885	3	122.0840	1.885	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	O(C[6]C[5,6]C[6])	122.5670	0.000	1	122.5670	0.000	1	122.0840	1.885	3	122.0840	1.885	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]C[6])	120.5350	0.000	1	120.5350	0.000	1	122.0840	1.885	3	122.0840	1.885	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	122.1650	0.000	1	122.1650	0.000	1	121.9174	0.820	8	121.9174	0.820	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5,6]C[6])	121.0317	0.949	3	121.0317	0.901	3	121.9174	0.820	8	121.9174	0.820	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	122.4330	0.000	1	122.4330	0.000	1	121.9174	0.820	8	121.9174	0.820	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	O(C[6]C[5,6]C[6])	122.7310	0.000	1	122.5487	0.030	3	121.9174	0.820	8	121.9174	0.820	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	O(C[6]C[5,6]C[6])	122.4575	0.100	2	122.5487	0.030	3	121.9174	0.820	8	121.9174	0.820	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	2:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O){2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6])	122.4575	0.302	2	122.4575	0.091	2	122.4575	0.091	2	122.4575	0.091	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:2:2:3:	3:	C[5,6]-4:N[6]-3:O-1:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O)	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	O(C[6]C[5,6]N[6])	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:2:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	120.9285	0.610	2	120.9285	0.372	2	120.9285	0.372	2	120.9285	0.372	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:2:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	119.1770	0.091	2	119.1770	0.008	2	119.1770	0.008	2	119.1770	0.008	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:2:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[6]-3:	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC){1|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	120.8573	1.542	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:2:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O){4|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5,6]C[6])	120.1425	0.135	2	120.1425	0.018	2	120.1425	0.018	2	120.8573	1.542	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	119.3750	0.000	1	119.3750	0.000	1	119.3750	0.000	1	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	119.3010	0.324	3	119.4631	0.087	7	119.4631	0.087	7	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	119.2360	0.000	1	119.4631	0.087	7	119.4631	0.087	7	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	119.7760	0.000	1	119.4631	0.087	7	119.4631	0.087	7	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	119.6260	0.000	1	119.4631	0.087	7	119.4631	0.087	7	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	119.7010	0.000	1	119.4631	0.087	7	119.4631	0.087	7	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	119.8218	1.296	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	118.2120	0.000	1	118.2120	0.000	1	118.2120	0.000	1	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){3|H<1>,8|C<3>}	O(C[6]C[6,6a]C[5,6])	119.4825	0.025	2	119.4825	0.001	2	119.4825	0.001	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	120.1090	0.000	1	120.2520	0.041	2	120.2520	0.041	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	120.3950	0.000	1	120.2520	0.041	2	120.2520	0.041	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	117.7240	0.000	1	117.7240	0.000	1	117.7240	0.000	1	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	119.9833	0.712	3	119.9833	0.507	3	119.9833	0.507	3	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.0400	0.000	1	121.0400	0.000	1	121.0400	0.000	1	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	O(C[6]C[5,6]C[6])	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	O(C[6]C[5,6]C[6])	120.1960	0.595	2	120.1960	0.354	2	120.2863	0.143	6	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|Si<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	O(C[6]C[5,6]C[6])	120.5880	0.000	1	120.5880	0.000	1	120.2863	0.143	6	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	O(C[6]C[5,6]C[6])	119.8850	0.000	1	120.2460	0.125	3	120.2863	0.143	6	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	O(C[6]C[5,6]C[6])	120.4265	0.234	2	120.2460	0.125	3	120.2863	0.143	6	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O(C[6]C[5,6]C[6])	119.2050	0.000	1	119.2050	0.000	1	120.0408	1.308	4	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6])	120.7030	0.000	1	121.0040	0.181	2	120.0408	1.308	4	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6])	121.3050	0.000	1	121.0040	0.181	2	120.0408	1.308	4	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	118.9500	0.000	1	118.9500	0.000	1	120.0408	1.308	4	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	O(C[6]C[5,6]C[6])	119.7845	0.228	4	119.7845	0.052	4	119.8079	0.411	9	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	O(C[6]C[5,6]C[6])	120.3220	0.396	3	120.3220	0.157	3	119.8079	0.411	9	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	119.0835	0.986	2	119.0835	0.973	2	119.8079	0.411	9	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O){2|H<1>,9|C<3>}	O(C[6]C[5,6]C[6])	120.1395	0.487	2	120.1395	0.237	2	120.1395	0.237	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	O(C[6]C[5,6]N[6])	118.8440	0.000	1	119.4585	0.755	2	119.4585	0.755	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	O(C[6]C[5,6]N[6])	120.0730	0.000	1	119.4585	0.755	2	119.4585	0.755	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	O(C[6]C[5,6]N[6])	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	O(C[6]C[5,6]N[6])	122.1760	0.000	1	122.1760	0.000	1	122.1760	0.000	1	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O){1|H<1>,2|C<4>,7|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[5,6]N[6])	122.8700	0.000	1	122.8700	0.000	1	122.8125	0.007	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O){1|H<1>,6|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O(C[6]C[5,6]N[6])	122.7550	0.000	1	122.7550	0.000	1	122.8125	0.007	2	120.1228	1.140	38	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	122.2190	0.000	1	122.2190	0.000	1	122.6074	0.388	5	120.0568	7.378	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.6970	1.097	2	122.7045	0.454	4	122.6074	0.388	5	120.0568	7.378	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.7120	0.397	2	122.7045	0.454	4	122.6074	0.388	5	120.0568	7.378	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[5,6]C[6])	117.3304	0.664	5	117.3304	0.442	5	117.3304	0.442	5	120.0568	7.378	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	O(C[6]C[5,6]N[6])	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	120.0568	7.378	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[3,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[3,6])	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O){4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]N[3,6])	125.2995	0.282	2	125.2995	0.080	2	125.2995	0.080	2	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	O(C[6]C[5,6]N[5,6])	121.3230	1.179	2	121.3230	1.391	2	120.9238	2.026	12	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]N[5,6])	121.6030	0.761	2	120.8440	2.280	10	120.9238	2.026	12	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[5,6])	121.0745	2.129	2	120.8440	2.280	10	120.9238	2.026	12	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[5,6])	119.6550	0.000	1	120.8440	2.280	10	120.9238	2.026	12	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[5,6])	121.8067	1.226	3	120.8440	2.280	10	120.9238	2.026	12	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	119.0050	0.429	2	120.8440	2.280	10	120.9238	2.026	12	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	119.6150	0.000	1	120.4350	0.504	3	122.0440	5.498	5	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	120.8350	0.000	1	120.4350	0.504	3	122.0440	5.498	5	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	120.8550	0.000	1	120.4350	0.504	3	122.0440	5.498	5	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]N[6,6])	123.5720	0.000	1	124.4575	1.568	2	122.0440	5.498	5	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]N[6,6])	125.3430	0.000	1	124.4575	1.568	2	122.0440	5.498	5	121.6792	4.338	19	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5])	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5]){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	O(C[6]N[5,6,6]C[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]N[5,6,6]C[5,6])	121.3940	0.000	1	120.8767	0.277	3	120.8275	0.194	4	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	O(C[6]N[5,6,6]C[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]N[5,6,6]C[5,6])	120.6180	0.390	2	120.8767	0.277	3	120.8275	0.194	4	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS)	O(C[6]N[5,6,6]C[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]N[5,6,6]C[5,6])	120.6800	0.000	1	120.6800	0.000	1	120.8275	0.194	4	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	118.5205	0.828	2	118.5205	0.686	2	118.5205	0.686	2	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|S<2>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[5,6])	120.8130	0.296	2	120.8130	0.087	2	120.5320	0.306	4	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	120.2510	0.718	2	120.2510	0.516	2	120.5320	0.306	4	120.2030	1.004	11	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	121.0200	0.222	2	121.0200	0.049	2	121.0200	0.049	2	120.6118	0.305	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O){5|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	119.9720	0.000	1	119.9720	0.000	1	120.0210	0.005	2	120.6118	0.305	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){5|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	120.0700	0.000	1	120.0700	0.000	1	120.0210	0.005	2	120.6118	0.305	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O){3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	O(C[6]C[5,6]C[6])	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	120.6118	0.305	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:3:4:4:	3:	C[5,6]-4:N[6,6]-3:O-1:	N[5,6]-3:C[6]-3:C[5]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:2:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	121.6300	0.000	1	121.6300	0.000	1	121.6435	0.000	2	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6])	121.6570	0.000	1	121.6570	0.000	1	121.6435	0.000	2	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]N[5,6])	119.8040	0.390	2	119.8040	0.152	2	120.9337	2.294	15	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5,6]N[5,6])	123.4060	0.683	2	121.4461	2.564	8	120.9337	2.294	15	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	120.7928	1.203	6	121.4461	2.564	8	120.9337	2.294	15	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[5,6])	120.1880	1.394	4	120.5656	2.169	5	120.9337	2.294	15	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[5,6])	122.0760	0.000	1	120.5656	2.169	5	120.9337	2.294	15	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	O(C[6]C[5,6]N[6])	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	124.1675	0.071	2	124.1675	0.005	2	124.1675	0.005	2	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[5,6]N[6])	119.0620	0.000	1	119.9110	1.442	2	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	120.7600	0.000	1	119.9110	1.442	2	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[5,6]N[6])	119.4740	0.027	2	119.2290	0.180	3	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]N[6])	118.7390	0.000	1	119.2290	0.180	3	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[5,6]N[6])	119.0690	0.000	1	119.4290	0.259	2	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	119.7890	0.000	1	119.4290	0.259	2	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	120.3770	0.000	1	120.3770	0.000	1	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5,6]N[6])	121.9090	0.544	2	121.2417	1.484	3	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]N[6])	119.9070	0.000	1	121.2417	1.484	3	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	118.8425	0.820	2	118.8425	0.672	2	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	119.8433	0.272	3	119.8433	0.074	3	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	118.6315	0.542	4	118.6315	0.293	4	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5,6]N[6])	122.9685	0.561	2	122.9685	0.314	2	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	O(C[6]C[5,6]N[6])	121.4970	0.000	1	121.1581	2.187	8	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	O(C[6]C[5,6]N[6])	122.5180	0.000	1	121.1581	2.187	8	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]N[6])	120.7060	0.000	1	121.1581	2.187	8	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	O(C[6]C[5,6]N[6])	120.9088	1.791	5	121.1581	2.187	8	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]N[6])	121.6940	0.000	1	121.6940	0.000	1	120.2937	2.279	31	120.6718	2.641	52	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|Br<1>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	119.9800	0.756	7	119.9800	0.572	7	119.9800	0.572	7	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[5,6])	120.2710	0.000	1	121.3176	1.178	5	121.3176	1.178	5	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5,6]N[5,6])	121.5793	1.056	4	121.3176	1.178	5	121.3176	1.178	5	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	120.4846	1.060	7	120.4846	1.123	7	120.4846	1.123	7	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	117.2670	0.000	1	117.2670	0.000	1	117.2670	0.000	1	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	119.9270	0.000	1	119.9270	0.000	1	120.7680	0.726	3	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[5,6]N[6])	121.1885	0.626	2	121.1885	0.392	2	120.7680	0.726	3	120.4092	1.457	23	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	121.0840	0.691	4	121.0840	0.478	4	121.0840	0.478	4	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	122.2140	0.000	1	122.1175	0.019	2	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	122.0210	0.000	1	122.1175	0.019	2	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	120.9550	0.000	1	120.9550	0.000	1	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	120.8930	0.000	1	118.1492	21.196	4	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	120.6940	0.000	1	118.1492	21.196	4	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	115.5050	5.967	2	118.1492	21.196	4	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	O(C[6]C[5,6]C[6])	119.2260	0.000	1	119.2260	0.000	1	119.6266	12.382	8	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	119.4985	0.316	2	119.4985	0.100	2	119.4985	0.100	2	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O){1|Si<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[5,6]N[6])	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	120.2084	5.710	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	121.2125	0.100	2	121.2125	0.010	2	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	120.3340	0.000	1	120.3340	0.000	1	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	O(C[6]C[5,6]N[6])	124.7440	0.000	1	124.5750	0.783	3	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	125.3630	0.000	1	124.5750	0.783	3	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	O(C[6]C[5,6]N[6])	123.6180	0.000	1	124.5750	0.783	3	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	O(C[6]C[5,6]N[6])	123.8055	0.190	2	123.8977	0.044	3	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	124.0820	0.000	1	123.8977	0.044	3	123.1308	3.108	9	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	120.0970	0.000	1	119.2335	1.491	2	119.2335	1.491	2	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	3:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	118.3700	0.000	1	119.2335	1.491	2	119.2335	1.491	2	122.1936	5.283	12	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	119.3270	0.000	1	119.3270	0.000	1	119.3270	0.000	1	122.0265	2.845	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	124.1310	0.000	1	124.1310	0.000	1	124.1310	0.000	1	122.0265	2.845	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	122.0515	1.077	2	122.0515	1.160	2	121.8760	0.672	3	122.0265	2.845	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6])	121.5250	0.000	1	121.5250	0.000	1	121.8760	0.672	3	122.0265	2.845	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	123.0730	0.000	1	123.0730	0.000	1	123.0730	0.000	1	122.0265	2.845	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O){3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	O(C[6]C[5,6]C[6])	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	120.2393	2.376	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2{1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	122.1875	0.688	2	122.1875	0.473	2	122.1875	0.473	2	120.2393	2.376	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5,6]N[6])	119.2770	0.064	2	119.2770	0.004	2	119.2770	0.004	2	120.2393	2.376	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:2:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]N[6])	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	120.2393	2.376	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6])	119.4920	0.000	1	119.4920	0.000	1	119.4920	0.000	1	119.4188	1.128	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6])	117.6080	0.000	1	117.6080	0.000	1	118.6105	2.010	2	119.4188	1.128	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	O(C[6]C[5,6]C[6])	119.6130	0.000	1	119.6130	0.000	1	118.6105	2.010	2	119.4188	1.128	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]N[6])	120.1905	0.028	2	120.1905	0.001	2	120.1905	0.001	2	119.4188	1.128	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:2:	3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6])	119.6537	1.170	3	119.6537	1.370	3	119.6537	1.370	3	119.6537	1.370	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[5,6])	123.5235	0.339	2	123.5235	0.115	2	123.5235	0.115	2	120.6244	6.436	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]C[5,6])	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	120.6244	6.436	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O){1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	120.6244	6.436	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[6])	118.3080	0.000	1	118.5447	0.140	3	118.5447	0.140	3	120.6244	6.436	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:2:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]N[6])	118.6630	0.443	2	118.5447	0.140	3	118.5447	0.140	3	120.6244	6.436	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6,6])	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	122.6260	0.263	2	122.5857	0.039	3	122.0695	1.092	4	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	122.5050	0.000	1	122.5857	0.039	3	122.0695	1.092	4	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[5,6]C[6])	120.5210	0.000	1	120.5210	0.000	1	122.0695	1.092	4	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	121.5990	0.000	1	121.5990	0.000	1	121.5990	0.000	1	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	121.5229	2.449	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5])	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5]){3|C<4>,4|C<3>}	O(C[6]C[5,6]N[6])	120.3740	0.624	2	120.3740	0.389	2	120.3740	0.389	2	119.2923	3.704	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	119.2923	3.704	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO){2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	O(C[6]C[5,6]N[6])	117.7880	0.000	1	117.7880	0.000	1	117.7880	0.000	1	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	121.8935	0.346	2	121.8935	0.120	2	121.8935	0.120	2	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{2|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	122.5438	1.014	4	122.1015	1.086	6	122.0411	0.524	13	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	121.2170	0.016	2	122.1015	1.086	6	122.0411	0.524	13	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	121.7670	0.181	2	121.7670	0.033	2	122.0411	0.524	13	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2{2|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	121.7967	0.067	3	121.7967	0.005	3	122.0411	0.524	13	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2{2|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	122.5005	0.193	2	122.5005	0.037	2	122.0411	0.524	13	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[5,6]N[6])	121.1230	0.000	1	121.1230	0.000	1	121.5855	0.428	2	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[5,6]N[6])	122.0480	0.000	1	122.0480	0.000	1	121.5855	0.428	2	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	O(C[6]C[5,6]N[6])	122.2040	0.537	4	122.2040	0.288	4	122.2040	0.288	4	121.7095	1.435	24	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O){1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]2)	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|D<1>,1|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6])	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	O(C[6]C[5,6]C[6])	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6])	125.8410	0.000	1	125.8410	0.000	1	122.8810	6.585	3	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	O(C[6]C[5,6]C[6])	121.4010	0.168	2	121.4010	0.028	2	122.8810	6.585	3	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6]C[5,6]N[6])	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3){3|C<4>}	O(C[6]C[5,6]N[6])	120.9640	0.000	1	120.9640	0.000	1	122.2340	3.226	2	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3){2|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	123.5040	0.000	1	123.5040	0.000	1	122.2340	3.226	2	121.5316	3.800	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:1:	3:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6])	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	119.8347	2.800	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6,6])	120.8260	0.000	1	120.8260	0.000	1	119.4198	1.914	6	119.8347	2.800	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	119.4790	0.000	2	119.4790	0.000	2	119.4198	1.914	6	119.8347	2.800	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:1:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	O(C[6]C[5,6]N[6,6])	118.9117	1.846	3	118.9117	3.406	3	119.4198	1.914	6	119.8347	2.800	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:2:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	119.8920	0.307	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:2:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	119.8090	0.757	2	119.8090	0.572	2	119.8090	0.572	2	119.8920	0.307	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:3:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:2:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	123.0060	0.000	1	123.0060	0.000	1	122.6805	0.212	2	122.6805	0.212	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:2:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	122.3550	0.000	1	122.3550	0.000	1	122.6805	0.212	2	122.6805	0.212	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	O(C[6]C[5,6]C[6])	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6]C[5,6]C[6])	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	119.1970	0.000	1	119.1970	0.000	1	120.3255	2.547	2	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	121.4540	0.000	1	121.4540	0.000	1	120.3255	2.547	2	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	O(C[6]C[5,6]C[6])	119.1920	0.000	1	119.1920	0.000	1	120.8215	5.311	2	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6])	122.4510	0.000	1	122.4510	0.000	1	120.8215	5.311	2	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	121.2487	0.189	3	121.2487	0.036	3	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.9640	0.000	1	121.9640	0.000	1	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	120.9010	0.000	1	120.9010	0.000	1	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	123.3615	0.118	2	123.3615	0.014	2	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	118.9910	0.000	1	118.9910	0.000	1	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	120.1140	0.000	1	120.1140	0.000	1	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	124.1520	0.000	1	124.1520	0.000	1	121.6591	2.531	10	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	O(C[6]C[5,6]C[6])	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	O(C[6]C[5,6]N[5,6])	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]N[5,6])	120.2770	0.000	1	120.2770	0.000	1	120.2770	0.000	1	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	121.3525	0.158	2	121.3525	0.025	2	122.2845	7.936	6	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	125.7320	1.153	2	122.7505	12.349	4	122.2845	7.936	6	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	119.7690	0.402	2	122.7505	12.349	4	122.2845	7.936	6	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	123.5730	0.000	1	123.5730	0.000	1	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5,6]N[6])	123.0320	0.000	1	123.0320	0.000	1	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	O(C[6]C[5,6]N[6])	123.2100	0.000	1	123.2100	0.000	1	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	O(C[6]C[5,6]N[6])	121.6240	0.000	1	121.6240	0.000	1	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	O(C[6]C[5,6]N[6])	121.2350	0.000	1	121.2350	0.000	1	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	124.5320	0.000	1	124.5320	0.000	1	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	O(C[6]C[5,6]N[6])	125.0677	0.067	4	124.7570	0.288	6	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	124.1355	0.517	2	124.7570	0.288	6	123.8123	1.797	12	122.1606	4.553	36	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	122.1540	0.000	1	121.4900	0.882	2	121.4900	0.882	2	120.8653	0.977	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	120.8260	0.000	1	121.4900	0.882	2	121.4900	0.882	2	120.8653	0.977	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	119.7200	0.000	1	119.7200	0.000	1	119.5465	0.060	2	120.8653	0.977	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6])	119.3730	0.000	1	119.3730	0.000	1	119.5465	0.060	2	120.8653	0.977	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[5,6]C[6])	121.3090	0.134	2	121.3090	0.018	2	121.3090	0.018	2	120.8653	0.977	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	120.8653	0.977	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	O(C[6]C[5,6]C[6])	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]N[6])	122.4670	0.000	1	122.4670	0.000	1	122.4670	0.000	1	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	O(C[6]C[5,6]N[6])	119.3650	0.461	2	119.3650	0.213	2	119.3650	0.213	2	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5,6]N[6])	119.1168	0.439	12	119.1168	0.193	12	119.1168	0.193	12	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	120.4273	0.844	3	121.0174	1.039	5	120.9400	0.787	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){3|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	121.9025	0.351	2	121.0174	1.039	5	120.9400	0.787	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]N[6])	120.2680	0.000	1	120.2680	0.000	1	120.9400	0.787	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	121.2250	0.000	1	121.2250	0.000	1	120.9400	0.787	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2{2|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	122.1645	0.030	2	122.1645	0.001	2	122.1196	0.612	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[5,6]N[6])	122.3830	0.228	2	122.3830	0.052	2	122.1196	0.612	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2{3|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	122.6295	0.528	2	122.6295	0.279	2	122.1196	0.612	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6]N[6])	120.4830	0.000	1	120.4830	0.000	1	122.1196	0.612	7	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]N[6])	119.4610	1.095	4	119.4610	1.199	4	119.1797	0.668	8	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]N[6])	118.8830	0.471	3	118.8830	0.222	3	119.1797	0.668	8	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5,6]N[6])	118.9450	0.000	1	118.9450	0.000	1	119.1797	0.668	8	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	118.2410	0.000	1	118.2410	0.000	1	118.5705	0.398	4	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	118.6803	0.724	3	118.6803	0.524	3	118.5705	0.398	4	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	119.2640	0.000	1	119.2640	0.000	1	121.1162	1.458	5	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	O(C[6]C[5,6]N[6])	121.1730	0.000	1	121.0600	0.026	2	121.1162	1.458	5	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	O(C[6]C[5,6]N[6])	120.9470	0.000	1	121.0600	0.026	2	121.1162	1.458	5	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	122.0985	0.663	2	122.0985	0.439	2	121.1162	1.458	5	120.1595	2.180	50	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	O(C[6]C[5a,6]C[5,6])	122.2930	0.000	1	122.2930	0.000	1	121.4110	1.556	2	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	O(C[6]C[5a,6]C[5,6])	120.5290	0.000	1	120.5290	0.000	1	121.4110	1.556	2	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3){2|H<1>,2|O<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	121.2810	0.000	1	121.2810	0.000	1	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	122.3410	0.909	3	121.5401	1.190	8	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	120.9490	0.289	3	121.5401	1.190	8	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	O(C[6]C[6,6a]C[5,6])	122.5180	0.000	1	121.5401	1.190	8	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|H<1>,8|C<3>}	O(C[6]C[6,6a]C[5,6])	119.9330	0.000	1	121.5401	1.190	8	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	121.8630	0.000	1	121.8630	0.000	1	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	122.6890	0.000	1	122.8785	0.072	2	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	123.0680	0.000	1	122.8785	0.072	2	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	122.0990	0.000	1	122.5730	0.436	3	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	O(C[6]C[6,6a]C[5,6])	122.8100	0.731	2	122.5730	0.436	3	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	122.1090	0.218	2	122.1090	0.047	2	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	122.4950	0.000	1	122.4950	0.000	1	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	121.5430	0.000	1	121.5430	0.000	1	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6])	123.4870	0.000	1	123.4870	0.000	1	122.0342	0.881	20	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	120.0870	0.294	2	120.0870	0.087	2	120.0870	0.087	2	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	123.0450	0.000	1	123.0450	0.000	1	122.6693	0.133	3	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6])	122.4815	0.231	2	122.4815	0.053	2	122.6693	0.133	3	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3){1|O<2>,3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6])	116.9790	0.000	1	116.9790	0.000	1	116.9790	0.000	1	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	120.5330	0.000	1	120.5330	0.000	1	121.1965	0.880	2	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	121.8600	0.000	1	121.8600	0.000	1	121.1965	0.880	2	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,4|C<3>}	O(C[6]C[5,6]N[6])	121.0625	0.699	2	121.0625	0.489	2	122.6042	2.373	6	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	122.8660	0.000	1	122.8660	0.000	1	122.6042	2.373	6	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	123.0325	1.525	2	123.0325	2.326	2	122.6042	2.373	6	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){2|H<1>,2|N<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	O(C[6]C[5,6]N[6])	124.5690	0.000	1	124.5690	0.000	1	122.6042	2.373	6	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3){2|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	123.6157	0.310	4	123.6157	0.096	4	123.6157	0.096	4	121.9066	2.338	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	O(C[6]C[5,6]C[6])	121.5880	0.000	1	121.0977	0.549	3	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	O(C[6]C[5,6]C[6])	120.8525	0.859	2	121.0977	0.549	3	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	119.1375	0.166	2	119.6213	0.716	3	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	O(C[6]C[5,6]C[6])	120.5890	0.000	1	119.6213	0.716	3	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	O(C[6]C[5,6]C[6])	121.4560	0.000	1	121.3443	0.275	16	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	O(C[6]C[5,6]C[6])	121.1685	0.461	11	121.3443	0.275	16	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	O(C[6]C[5,6]C[6])	122.4020	0.000	1	121.3443	0.275	16	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	O(C[6]C[5,6]C[6])	121.5990	0.407	3	121.3443	0.275	16	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	121.3170	0.000	1	121.3170	0.000	1	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	O(C[6]C[5,6]C[6])	121.4065	0.223	2	121.5752	0.043	10	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	O(C[6]C[5,6]C[6])	121.6174	0.195	8	121.5752	0.043	10	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	O(C[6]C[5,6]C[6])	121.5086	0.081	5	121.5086	0.007	5	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|O<1>,4|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	119.9060	0.000	1	119.9060	0.000	1	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	O(C[6]C[5,6]C[6])	122.2430	0.000	1	122.2430	0.000	1	121.2607	0.498	40	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	O(C[6]C[5,6]C[6])	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]I)(O)	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]I)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O){1|I<1>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:3:1:	4:4:4:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	121.1920	0.573	43	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	O(C[6]C[5,6]2)	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	121.4755	0.266	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:3:2:1:	3:	C[5,6]-4:C[6]-4:O-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.1110	0.000	1	121.1110	0.000	1	121.1110	0.000	1	121.4755	0.266	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:3:4:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]2)	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:3:4:3:	3:	C[6,6]-4:C[5,6]-4:O-1:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[6]-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6,6])	121.5185	0.151	2	121.5185	0.023	2	121.7263	0.141	3	121.7263	0.141	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:3:4:3:	3:	C[6,6]-4:C[5,6]-4:O-1:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	C[6]-3:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6,6])	122.1420	0.000	1	122.1420	0.000	1	121.7263	0.141	3	121.7263	0.141	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:3:4:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O){4|H<1>,5|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]2)	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:4:3:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]2)	122.2535	0.107	2	122.2535	0.011	2	122.2535	0.011	2	122.4357	0.105	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[5,6]C[6])	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	122.4357	0.105	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	2:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:2:4:1:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[5,6])	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:2:2:	3:	C[4,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	O(C[6]C[4,6]C[5,6])	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	O(C[6]C[4,6]C[5,6])	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	122.5120	0.119	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:2:2:	3:	C[5,6]-4:C[4,6]-4:O-1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[6]-3:	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	O(C[6]C[4,6]C[5,6])	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	O(C[6]C[4,6]C[5,6])	122.7560	0.000	1	122.7560	0.000	1	122.7560	0.000	1	122.5120	0.119	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	121.3430	0.000	1	121.3430	0.000	1	121.3430	0.000	1	121.3430	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6])	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,2|C<3>,6|C<4>}	O(C[6]C[5,6]C[6,6])	121.1360	0.000	1	121.2560	0.331	6	121.2560	0.331	6	121.2560	0.331	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,3|C<3>,5|C<4>}	O(C[6]C[5,6]C[6,6])	121.1030	0.000	1	121.2560	0.331	6	121.2560	0.331	6	121.2560	0.331	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6])	120.9720	0.000	1	121.2560	0.331	6	121.2560	0.331	6	121.2560	0.331	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,2|C<3>,6|C<4>}	O(C[6]C[5,6]C[6,6])	122.4170	0.000	1	121.2560	0.331	6	121.2560	0.331	6	121.2560	0.331	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,3|C<3>,5|C<4>}	O(C[6]C[5,6]C[6,6])	121.0080	0.000	1	121.2560	0.331	6	121.2560	0.331	6	121.2560	0.331	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:3:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6])	120.9000	0.000	1	121.2560	0.331	6	121.2560	0.331	6	121.2560	0.331	6	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:2:1:	3:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[6]-3:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	O(C[6]C[5,5,6,6]C[5,6])	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O){2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,5,6,6]C[5,6])	122.4000	0.000	1	122.4000	0.000	1	122.4000	0.000	1	122.4000	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:2:2:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	O(C[6]C[5,6]2)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]2)	121.3970	0.000	1	121.3970	0.000	1	121.4750	0.005	3	121.4750	0.005	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:2:2:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	O(C[6]C[5,6]2)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]2)	121.5140	0.020	2	121.5140	0.000	2	121.4750	0.005	3	121.4750	0.005	3	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:3:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O)	O(C[6]C[5,6]2)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]C[5]C[6]N[5])(O){2|N<2>,4|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	O(C[6]C[5,6]2)	120.6540	0.000	1	120.6540	0.000	1	120.6540	0.000	1	120.6686	0.606	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	O(C[6]C[5,6]C[6])	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	120.6686	0.606	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	O(C[6]C[5,6]C[6])	120.9680	0.872	4	120.9680	0.760	4	120.9680	0.760	4	120.6686	0.606	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2{2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	119.9375	0.678	2	119.9375	0.460	2	119.9375	0.460	2	120.6686	0.606	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	121.5640	0.000	1	121.5640	0.000	1	121.5640	0.000	1	120.9925	0.653	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	120.9925	0.653	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	3:4:4:4:	3:	C[6,6]-4:C[5,6]-4:O-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){1|O<2>,6|H<1>,7|C<4>}	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6,6])	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.8075	0.416	2	121.8075	0.173	2	121.8075	0.173	2	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	121.3495	1.052	6	121.4217	0.873	9	121.4217	0.873	9	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.5660	0.823	3	121.4217	0.873	9	121.4217	0.873	9	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	120.4875	1.152	2	120.4875	1.327	2	120.6947	0.792	3	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.1090	0.000	1	121.1090	0.000	1	120.6947	0.792	3	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6])	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	121.0250	3.161	2	121.0250	9.990	2	121.0250	9.990	2	121.0883	1.814	18	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	120.2385	0.415	2	120.2385	0.172	2	120.2385	0.172	2	120.2385	0.172	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:O[5,6]-2:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO){2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	120.9279	1.698	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O[5]-2:C[6]-3:N-3:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	120.9279	1.698	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	122.0250	0.000	1	122.2090	0.223	3	122.2090	0.223	3	120.9279	1.698	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	122.3010	0.629	2	122.2090	0.223	3	122.2090	0.223	3	120.9279	1.698	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:2:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2{2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	119.7585	0.182	2	119.7585	0.033	2	119.7585	0.033	2	120.9279	1.698	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[5,6])	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[5,6])	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]2)	120.0240	0.000	1	119.7190	0.186	2	122.0759	3.804	9	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]2)	119.4140	0.000	1	119.7190	0.186	2	122.0759	3.804	9	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]2)	121.3220	0.006	2	121.3220	0.000	2	122.0759	3.804	9	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)2(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]O[5]H)2(O){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2)	123.6045	2.569	2	123.6045	6.599	2	122.0759	3.804	9	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2)	124.5410	0.000	1	123.1307	1.693	3	122.0759	3.804	9	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2)	122.4255	0.634	2	123.1307	1.693	3	122.0759	3.804	9	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6,6])	123.9660	0.161	2	123.4511	0.470	8	123.4511	0.470	8	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6,6])	123.2795	0.715	6	123.4511	0.470	8	123.4511	0.470	8	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O){1|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H){1|O<1>,5|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.0720	0.000	1	121.0720	0.000	1	121.0720	0.000	1	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	124.9910	0.000	1	124.9910	0.000	1	122.5886	2.791	5	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	122.9110	0.082	2	122.9110	0.007	2	122.5886	2.791	5	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	121.5820	0.000	1	121.5820	0.000	1	122.5886	2.791	5	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	120.5480	0.000	1	120.5480	0.000	1	122.5886	2.791	5	122.0966	9.302	25	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(O){2|C<3>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH){1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6,6])	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	119.7885	3.620	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O){1|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6])	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.7885	3.620	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O){2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	O(C[6]C[5,6]C[6])	121.2130	0.000	1	121.2130	0.000	1	121.2130	0.000	1	119.7885	3.620	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	C[6]-3:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	119.7885	3.620	4	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:2:4:	3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	O(C[6]C[5,6,6]C[5,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[5,6])	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]2)	120.9605	0.462	2	120.9605	0.213	2	120.9605	0.213	2	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)(O){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6,6])	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	120.8343	1.132	3	120.8343	1.281	3	121.0850	1.105	4	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	121.8370	0.000	1	121.8370	0.000	1	121.0850	1.105	4	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(O){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	122.5220	0.000	1	122.5220	0.000	1	122.5220	0.000	1	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:S[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	O(C[6]C[5,6]C[6])	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	122.0710	0.000	1	122.0710	0.000	1	122.1291	0.779	8	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	122.6085	0.480	2	122.6560	0.176	5	122.1291	0.779	8	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	122.6877	0.482	3	122.6560	0.176	5	122.1291	0.779	8	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6])	120.9790	0.000	1	120.9790	0.000	1	122.1291	0.779	8	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6])	120.7030	0.000	1	120.7030	0.000	1	122.1291	0.779	8	121.4276	1.544	17	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	119.6555	0.250	2	119.6555	0.062	2	119.6555	0.062	2	120.8362	0.750	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,8|H<1>}	O(C[6]C[5,6]C[6])	121.0485	0.213	2	121.3485	0.401	4	121.3485	0.401	4	120.8362	0.750	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	121.6485	0.893	2	121.3485	0.401	4	121.3485	0.401	4	120.8362	0.750	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6])	121.2140	0.000	1	121.2140	0.000	1	120.9925	0.098	2	120.8362	0.750	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	120.7710	0.000	1	120.7710	0.000	1	120.9925	0.098	2	120.8362	0.750	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	119.7015	1.013	2	119.7015	1.027	2	119.7015	1.027	2	119.7015	1.027	2	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[5,6]2)	122.8940	0.000	1	123.1190	0.101	2	123.1190	0.101	2	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]2)	123.3440	0.000	1	123.1190	0.101	2	123.1190	0.101	2	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O){1|C<3>,1|N<3>,4|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	O(C[6]C[5,6]2)	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>,7|C<4>}	O(C[6]C[5,6]C[6,6])	121.4190	0.000	1	121.7050	0.164	2	121.7050	0.164	2	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,6|H<1>,7|C<4>}	O(C[6]C[5,6]C[6,6])	121.9910	0.000	1	121.7050	0.164	2	121.7050	0.164	2	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,6]2C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]2C[5])(C[6,6]C[6,6]C[6]H)(O){3|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|H<1>,7|C<4>}	O(C[6]C[5,6]C[6,6])	123.9880	0.000	1	123.9880	0.000	1	123.9880	0.000	1	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	O(C[6]C[5,6]C[6])	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	122.0860	0.000	2	122.0860	0.000	2	122.0860	0.000	2	122.1565	1.511	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:1:	3:	C[4,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	O(C[6]C[4,6]C[5,6])	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[4,6]C[5,6])	121.1230	0.000	1	121.1230	0.000	1	121.2220	0.011	3	121.5280	0.727	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:1:	3:	C[4,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	O(C[6]C[4,6]C[5,6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[4,6]C[5,6])	121.2715	0.083	2	121.2715	0.007	2	121.2220	0.011	3	121.5280	0.727	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:1:	3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	O(C[6]C[5,5,6]C[5,6])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O){2|H<1>,3|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,5,6]C[5,6])	122.5300	0.000	2	122.5300	0.000	2	122.5300	0.000	2	121.5280	0.727	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O){1|C<3>,1|N<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]2)	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	121.5280	0.727	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,5|H<1>,8|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	O(C[6]C[5,6]2)	121.9430	0.443	2	121.9430	0.196	2	121.7357	0.227	3	121.5280	0.727	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6]2)	121.3210	0.000	1	121.3210	0.000	1	121.7357	0.227	3	121.5280	0.727	9	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:2:	3:	C[3x6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[6]-3:	C[6](C[3x6]C[5,6,6]C[3x6]O)(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	O(C[6]C[3x6]C[5,6])	C[6](C[3x6]C[5,6,6]C[3x6]O)(C[5,6]C[5,6]C[5]O)(O){1|H<1>,3|O<2>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[3x6]C[5,6])	120.1235	0.971	2	120.1235	0.943	2	120.1235	0.943	2	119.3976	4.581	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:2:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,2|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	O(C[6]C[5,6]2)	117.4630	1.548	3	117.4630	2.395	3	119.1072	6.267	5	119.3976	4.581	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:2:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])2(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	O(C[6]C[5,6]2)	C[6](C[5,6]C[5]C[6]O[5])2(O){1|C<4>,2|N<2>,4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]2)	121.5735	0.030	2	121.5735	0.001	2	119.1072	6.267	5	119.3976	4.581	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	O(C[6]C[5,6]C[6])	120.6695	0.247	2	120.6695	0.061	2	120.6695	0.061	2	120.8386	0.084	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){6|C<4>,8|H<1>}	O(C[6]C[5,6]C[6])	121.0395	0.363	2	121.0395	0.132	2	121.0395	0.132	2	120.8386	0.084	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	O(C[6]C[5,6]C[6])	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	120.8386	0.084	5	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[3,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3)	O(C[6]C[3,6]C[5,6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	O(C[6]C[3,6]C[5,6])	120.7790	0.033	2	120.7790	0.001	2	120.7790	0.001	2	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,5|H<1>,8|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	O(C[6]C[5,6]2)	123.5920	0.594	2	123.5920	0.353	2	123.5920	0.353	2	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])2(O)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5]2C[6])2(O){1|N<3>,2|C<3>,2|C<4>,2|O<2>,2|S<2>,8|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]2)	120.6560	0.418	4	120.6560	0.175	4	120.6560	0.175	4	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[3,5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O)	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O){1|O<2>,5|C<4>,8|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6,6])	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6,6])	120.7390	0.000	2	120.7390	0.000	2	120.7390	0.000	2	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]CH)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6]H)(O){3|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6])	121.7990	0.000	1	121.7990	0.000	1	121.7990	0.000	1	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:3:4:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O){1|O<2>,5|H<1>,8|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH){5|C<4>,7|H<1>}	O(C[6]C[5,6]C[6,6])	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	121.1445	1.456	13	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[5,6]2)	124.1915	0.062	2	124.1915	0.004	2	124.1915	0.004	2	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6]2)	124.0260	0.000	1	124.0260	0.000	1	124.0260	0.000	1	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	O(C[6]C[5,6]C[6,6])	120.4525	0.685	2	120.4525	0.469	2	120.4525	0.469	2	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	120.6280	0.414	2	120.9383	0.375	3	120.9383	0.375	3	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	121.5590	0.000	1	120.9383	0.375	3	120.9383	0.375	3	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,3x6]-4:C[5]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[5,6]C[5,3x6]C[5]Cl)(C[6]C[6,6]HH)(O)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]C[5]Cl)(C[6]C[6,6]HH)(O){1|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[3x6]HH)(O)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[3x6]HH)(O){1|C<3>,1|N<4>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(O){2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	120.7740	0.000	1	120.7740	0.000	1	121.8653	1.058	4	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	122.7225	0.354	2	122.7225	0.126	2	121.8653	1.058	4	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O(C[6]C[5,6]C[6])	121.2420	0.000	1	121.2420	0.000	1	121.8653	1.058	4	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[5,6]C[6])	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	120.1335	0.029	2	120.1335	0.001	2	120.6650	1.840	12	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	122.7340	0.000	1	122.7340	0.000	1	120.6650	1.840	12	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.6790	0.000	1	121.6790	0.000	1	120.6650	1.840	12	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.3822	0.500	5	121.3822	0.250	5	120.6650	1.840	12	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	118.5670	0.000	2	118.5670	0.000	2	120.6650	1.840	12	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	119.2550	0.000	1	119.2550	0.000	1	120.6650	1.840	12	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6])	122.6960	0.000	1	122.6960	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	127.2290	0.000	1	127.2290	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[5,6]C[6])	120.1870	0.000	1	120.1870	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6]C[6])	122.4730	0.000	1	122.4730	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	123.4170	0.000	1	123.4170	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	122.6480	0.000	1	122.6480	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	120.4420	0.000	1	120.4420	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6])	122.2650	0.000	2	122.2650	0.000	2	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6])	121.6760	0.000	1	121.6760	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	123.4860	0.144	2	123.4860	0.021	2	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	121.7280	1.556	3	121.7280	2.420	3	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	120.0440	0.000	1	120.0440	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	116.9710	0.000	1	116.9710	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	118.4765	0.026	2	119.5695	1.025	6	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	120.1160	0.716	4	119.5695	1.025	6	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>}	O(C[6]C[5,6]C[6])	121.0810	0.000	1	121.0810	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6])	121.0100	0.000	1	121.0100	0.000	1	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	122.6017	1.963	3	122.6017	3.855	3	121.4922	4.408	28	121.3750	3.437	55	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O){3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	O(C[6]C[5,6]2)	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6,6]HH)(O)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	123.6100	0.000	1	123.6100	0.000	1	123.6100	0.000	1	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O){2|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	120.8870	0.479	2	120.8870	0.230	2	120.8870	0.230	2	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	O(C[6]C[5,6]C[6])	121.2380	0.000	1	121.2380	0.000	1	121.2537	5.260	3	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	123.5550	0.000	1	123.5550	0.000	1	121.2537	5.260	3	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	118.9680	0.000	1	118.9680	0.000	1	121.2537	5.260	3	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	O(C[6]C[5,6]C[6])	120.0610	0.000	1	120.0610	0.000	1	121.1895	2.547	2	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:2:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6])	122.3180	0.000	1	122.3180	0.000	1	121.1895	2.547	2	121.3980	2.104	10	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]C[5]C[6]N[5])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O)	O(C[6]C[5,6]2)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]C[5]C[6]N[5])(O){2|N<2>,4|H<1>,8|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|C<4>,1|N<3>,7|C<3>}	O(C[6]C[5,6]2)	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	120.7006	0.603	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6])	121.3010	0.841	2	121.3010	0.708	2	121.3010	0.708	2	120.7006	0.603	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	120.9480	0.170	2	120.9480	0.029	2	120.9480	0.029	2	120.7006	0.603	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O){1|S<4>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6])	119.5530	0.000	1	119.5530	0.000	1	119.6120	0.007	2	120.7006	0.603	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	119.6710	0.000	1	119.6710	0.000	1	119.6120	0.007	2	120.7006	0.603	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CC)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CC)(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	120.6730	0.000	1	120.6730	0.000	1	120.6730	0.000	1	120.7006	0.603	8	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,2|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	O(C[6]C[5,6]2)	122.2200	0.000	1	122.4167	0.537	3	122.4167	0.537	3	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	O(C[6]C[5,6]2)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,2|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	O(C[6]C[5,6]2)	122.5150	1.008	2	122.4167	0.537	3	122.4167	0.537	3	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,2|C<3>,5|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6])	122.0210	0.000	1	121.7482	0.104	4	121.7482	0.104	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6])	121.8380	0.129	2	121.7482	0.104	4	121.7482	0.104	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[6]-3:C[5]-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	O(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6]C[6,6])	121.2960	0.000	1	121.7482	0.104	4	121.7482	0.104	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	122.6645	0.903	2	122.6645	0.815	2	122.3990	1.703	6	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	120.6570	0.000	1	120.9095	0.128	2	122.3990	1.703	6	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6])	121.1620	0.000	1	120.9095	0.128	2	122.3990	1.703	6	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	123.6230	0.000	2	123.6230	0.000	2	122.3990	1.703	6	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	123.2900	0.000	1	123.2900	0.000	1	121.9578	0.932	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|Br<1>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6])	121.3540	0.000	1	121.3540	0.000	1	121.9578	0.932	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5,6]C[6])	121.1520	0.000	1	121.5935	0.390	2	121.9578	0.932	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5,6]C[6])	122.0350	0.000	1	121.5935	0.390	2	121.9578	0.932	4	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	124.0320	0.000	1	124.0320	0.000	1	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	124.1430	0.000	1	123.6640	0.435	6	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	123.5682	0.689	5	123.6640	0.435	6	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6])	123.1830	1.229	2	123.1830	1.510	2	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	118.2440	0.000	1	118.2440	0.000	1	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6])	121.1665	0.153	2	121.1665	0.024	2	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	123.4450	0.000	1	123.4450	0.000	1	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	121.3180	0.000	1	121.3180	0.000	1	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6])	121.2710	0.132	2	121.2710	0.017	2	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6])	122.5360	0.000	1	122.5360	0.000	1	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6])	121.4390	0.000	1	121.4390	0.000	1	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.3695	0.633	2	121.3695	0.401	2	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:3:4:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[5,6]C[6])	122.8510	1.730	2	122.8510	2.991	2	122.3945	2.342	22	122.2858	1.681	39	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<2>,3|C<4>,4|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	122.2310	0.430	2	122.2310	0.185	2	122.1720	0.103	3	122.3543	0.547	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6])	122.0540	0.000	1	122.0540	0.000	1	122.1720	0.103	3	122.3543	0.547	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,7|H<1>}	O(C[6]C[5,6]C[6])	123.1875	0.958	2	123.1875	0.918	2	123.1875	0.918	2	122.3543	0.547	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6])	121.9390	0.000	1	121.9390	0.000	1	121.7945	0.042	2	122.3543	0.547	7	121.2963	3.535	1001	121.4808	3.737	1358
762	474	863	0:SP2_SP2_SP3	C[6]	C[5,6]	O	4:4:1:	4:4:4:3:	3:	C[5,6]-4:C[6]-4:O-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	O(C[6]C[5,6]C[6])	121.6500	0.000	1	121.6500	0.000	1	121.7945	0.042	2	122.3543	0.547	7	121.2963	3.535	1001	121.4808	3.737	1358