818	727	846	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4]-3:C[4]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H)	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[5]C[5,6a]2){9|C<3>}	127.4565	0.333	2	127.4565	0.111	2	127.1268	0.145	6	127.1268	0.145	6	127.0791	1.648	14	127.0791	1.648	14
818	727	846	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4]-3:C[4]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[5]C[5,6a]2){9|C<3>}	126.9620	0.310	4	126.9620	0.096	4	127.1268	0.145	6	127.1268	0.145	6	127.0791	1.648	14	127.0791	1.648	14
818	727	846	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4,5]C[4])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[4](C[4,5]C[5,6a]2C[4,5])(C[4]C[4,5]C[5])(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4,5]C[4]){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4,5]C[5,6a]2C[4,5])(C[4]C[4,5]C[5])(C[5]C[5,6a]2){12|C<3>}	126.9898	0.623	4	126.9898	0.388	4	126.9898	0.388	4	127.0434	2.955	8	127.0791	1.648	14	127.0791	1.648	14
818	727	846	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4]-4:C[4]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[5])(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[5])(C[5]C[5,6a]2){1|H<1>,9|C<3>}	126.9590	2.683	2	126.9590	7.197	2	126.9590	7.197	2	127.0434	2.955	8	127.0791	1.648	14	127.0791	1.648	14
818	727	846	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4]-4:C[5]-3:C[4]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[4](C[4]C[4,5]C[6a]H)(C[5]C[5,6a]2)(C[4]C[4,5]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[4,5]C[6a]H)(C[5]C[5,6a]2)(C[4]C[4,5]C){8|C<3>}	127.2350	3.496	2	127.2350	12.222	2	127.2350	12.222	2	127.0434	2.955	8	127.0791	1.648	14	127.0791	1.648	14
818	727	846	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[4,5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[4,5]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[4,5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5,6]C[4])(C[4,5]C[5,6a]C[4])(C[5]C[5,6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[5,6]C[4])(C[4,5]C[5,6a]C[4])(C[5]C[5,6a]Cl){2|C<4>,6|C<3>}	107.9150	0.165	2	107.9150	0.027	2	107.9150	0.027	2	107.9150	0.027	2	107.2712	1.420	4	107.2712	1.420	4
818	727	846	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[4,5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[4,5]-3:S-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-3:C[5]-3:C[4]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(SC)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4])(C[5]C[5,6a]S)(C[4]C[4]CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(SC){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[4])(C[5]C[5,6a]S)(C[4]C[4]CS){3|C<3>}	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	107.2712	1.420	4	107.2712	1.420	4
818	727	846	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[4,5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[4,5]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5]-3:C[4]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4]H)(C[5]C[5,6a]P)(C[4]C[4]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[5,6a]C[4]H)(C[5]C[5,6a]P)(C[4]C[4]HH){4|C<3>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.2712	1.420	4	107.2712	1.420	4
818	727	849	0:SP2_SP2_SP3	C[5,6]	C[5,6a]	P[6,6]	4:3:3:	3:3:3:	3:3:3:1:	P[6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[6,6]-3:O-1:	C[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5])	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	P[6,6](C[5,6]C[5,6a]C[5,6])2(C[6,6]C[5a,6]2)(O)	C[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,3|O<1>,4|C<3>}	P[6,6](C[5,6]C[5,6a]C[5,6])2(C[6,6]C[5a,6]2)(O){2|N<3>,2|S<4>,6|C<3>}	129.4765	4.197	2	129.4765	17.612	2	129.4765	17.612	2	129.4765	17.612	2	129.4765	17.612	2	129.4765	17.612	2
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	129.2130	0.000	1	129.1525	0.007	2	129.1525	0.007	2	129.1525	0.007	2	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	129.0920	0.000	1	129.1525	0.007	2	129.1525	0.007	2	129.1525	0.007	2	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	130.3050	0.610	2	130.3050	0.372	2	130.3050	0.372	2	130.3050	0.372	2	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	125.0310	0.000	1	125.0310	0.000	1	125.0310	0.000	1	125.5850	2.041	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	125.8080	0.000	1	125.8080	0.000	1	125.8080	0.000	1	125.5850	2.041	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:O-1:	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|C<3>}	126.8210	0.409	2	126.8210	0.167	2	126.8210	0.167	2	125.5850	2.041	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H){1|B<4>,1|H<1>,5|C<3>}	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	125.5850	2.041	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	126.3680	0.000	1	126.3680	0.000	1	126.3720	0.006	3	126.4100	0.101	6	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	126.3740	0.106	2	126.3740	0.011	2	126.3720	0.006	3	126.4100	0.101	6	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	126.7960	0.000	1	126.4480	0.242	3	126.4480	0.242	3	126.4100	0.101	6	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	125.8850	0.000	1	126.4480	0.242	3	126.4480	0.242	3	126.4100	0.101	6	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	126.6630	0.000	1	126.4480	0.242	3	126.4480	0.242	3	126.4100	0.101	6	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	127.4290	0.000	1	127.4290	0.000	1	127.1843	0.377	3	127.2270	0.192	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	126.4860	0.000	1	126.4860	0.000	1	127.1843	0.377	3	127.2270	0.192	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	127.6380	0.000	1	127.6380	0.000	1	127.1843	0.377	3	127.2270	0.192	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[3]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H){2|C<4>,4|C<3>,6|H<1>}	127.2910	0.000	2	127.2910	0.000	2	127.2910	0.000	2	127.2270	0.192	5	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	127.9580	0.000	1	127.9580	0.000	1	127.9580	0.000	1	127.9580	0.000	1	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	126.7450	0.662	2	126.7450	0.438	2	126.7450	0.438	2	126.7450	0.438	2	127.0819	2.482	23	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP2	C[5]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:4:4:	C[5,6a]-3:N[6]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H)	N[6](C[5]C[5,6a]N[5])(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5]C[5,6a]N[5])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	127.8180	0.000	1	127.8180	0.000	1	127.8180	0.000	1	127.8180	0.000	1	127.8180	0.000	1	127.1125	2.397	24
818	727	856	0:SP2_SP2_SP3	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){1|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	128.3420	0.000	1	128.3420	0.000	1	128.3420	0.000	1	128.3420	0.000	1	127.7960	0.596	2	127.7960	0.596	2
818	727	856	0:SP2_SP2_SP3	C[5,6]	C[5,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	127.7960	0.596	2	127.7960	0.596	2
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:2:1:	3:3:3:	3:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O)	O(C[5]C[5,5a]O[5])	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O){2|C<3>,2|C<4>}	O(C[5]C[5,5a]O[5])	131.2860	0.000	1	131.2860	0.000	1	131.7377	0.400	3	132.2675	0.609	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:2:1:	3:3:3:	3:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O)	O(C[5]C[5,5a]O[5])	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]O[5])	131.9635	0.702	2	131.9635	0.493	2	131.7377	0.400	3	132.2675	0.609	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:2:1:	3:3:3:	3:	C[5,5a]-3:O[5]-2:O-1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	O(C[5]C[5,5a]O[5])	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,5a]O[5])	133.0810	0.000	1	133.0810	0.000	1	133.0810	0.000	1	132.2675	0.609	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:2:1:	3:3:3:	3:	C[5,5a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	O(C[5]C[5,5a]O[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,5a]O[5])	132.1860	0.000	1	132.1860	0.000	1	132.1860	0.000	1	132.2675	0.609	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:2:1:	3:3:3:	3:	C[5,5a]-3:O[5]-2:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O)	O(C[5]C[5,5a]O[5])	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O){1|C<4>,3|H<1>}	O(C[5]C[5,5a]O[5])	133.1250	0.000	1	133.1250	0.000	1	133.1250	0.000	1	132.2675	0.609	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O){4|C<3>}	O(C[5]C[5,5a]C[5,6a])	127.0960	0.000	1	127.0960	0.000	1	127.0960	0.000	1	130.4408	6.230	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,5a]C[5])	133.3820	0.083	2	133.3820	0.007	2	133.3820	0.007	2	130.4408	6.230	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:2:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O){1|C<4>,4|H<1>}	O(C[5]C[5,5a]N[5])	129.1240	0.000	1	129.1240	0.000	1	129.1240	0.000	1	130.4408	6.230	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:2:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,5a]N[5])	129.5340	0.000	1	129.5340	0.000	1	129.8305	0.176	2	130.4408	6.230	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:2:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,5a]N[5])	130.1270	0.000	1	130.1270	0.000	1	129.8305	0.176	2	130.4408	6.230	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:2:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a])	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]N[5a])2(O){2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	O(C[5]C[5,5a]2)	128.9310	0.000	1	128.9310	0.000	1	128.9310	0.000	1	128.4145	3.368	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:2:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	O(C[5]C[5,5a]2)	126.7840	2.871	2	126.7840	8.242	2	127.9423	4.600	4	128.4145	3.368	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:2:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]S[5a])2(O){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	O(C[5]C[5,5a]2)	129.1005	0.438	2	129.1005	0.192	2	127.9423	4.600	4	128.4145	3.368	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:2:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a])	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a]){1|H<1>,1|P<4>,2|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.7870	0.000	1	129.7870	0.000	1	129.7870	0.000	1	128.4145	3.368	6	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	O(C[5]C[5,5a]2)	129.1355	1.242	2	129.1355	1.544	2	127.9217	0.440	15	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){3|C<3>}	O(C[5]C[5,5a]2)	128.0700	0.375	2	128.0700	0.140	2	127.9217	0.440	15	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	O(C[5]C[5,5a]2)	127.6191	0.317	8	127.6741	0.081	11	127.9217	0.440	15	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	O(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|S<2>,2|C<3>}	O(C[5]C[5,5a]2)	127.8207	0.099	3	127.6741	0.081	11	127.9217	0.440	15	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H){4|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.5840	0.000	1	129.5840	0.000	1	129.5840	0.000	1	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a]-3:C[5a,6]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.7630	0.000	1	129.7630	0.000	1	129.7630	0.000	1	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O){5|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.1210	0.000	1	129.1210	0.000	1	129.6073	0.127	6	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.7046	0.297	5	129.7046	0.088	5	129.6073	0.127	6	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.6800	0.093	2	129.7113	0.007	3	129.7113	0.007	3	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	O(C[5]C[5,5a]C[5,6a])	129.7740	0.000	1	129.7113	0.007	3	129.7113	0.007	3	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	O(C[5]C[5,5a]C[5,6a])	127.5597	0.485	3	127.5597	0.235	3	127.5597	0.235	3	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]C[5])	132.6240	0.000	1	132.6240	0.000	1	132.6240	0.000	1	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,5a]C[5])	132.9145	0.530	4	132.6808	0.484	5	132.6808	0.484	5	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5])	131.7460	0.000	1	132.6808	0.484	5	132.6808	0.484	5	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	O(C[5]C[5,5a]C[5])	128.2390	0.000	1	128.2390	0.000	1	128.6200	0.290	2	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	O(C[5]C[5,5a]C[5])	129.0010	0.000	1	129.0010	0.000	1	128.6200	0.290	2	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	O(C[5]C[5,5a]N[5])	133.2580	0.000	1	133.6515	0.338	10	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[5]C[5,5a]N[5])	133.2645	0.357	2	133.6515	0.338	10	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	O(C[5]C[5,5a]N[5])	133.7687	0.658	6	133.6515	0.338	10	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,4|C<3>}	O(C[5]C[5,5a]N[5])	134.1160	0.000	1	133.6515	0.338	10	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	O(C[5]C[5,5a]N[5])	131.1780	0.000	1	131.1780	0.000	1	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	O(C[5]C[5,5a]N[5])	133.0808	0.690	10	133.1068	0.436	11	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	O(C[5]C[5,5a]N[5])	133.3670	0.000	1	133.1068	0.436	11	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	O(C[5]C[5,5a]N[5])	131.4195	0.547	2	131.4195	0.299	2	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	O(C[5]C[5,5a]N[5])	131.1070	0.041	2	131.3499	0.291	12	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,5a]N[5])	131.3985	0.583	10	131.3499	0.291	12	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>}	O(C[5]C[5,5a]N[5])	130.2185	0.924	2	130.2185	0.854	2	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5,5a]N[5])	130.4770	0.000	1	130.4770	0.000	1	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5a]N[5])	129.0990	0.000	1	129.0990	0.000	1	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5,5a]N[5])	129.5460	0.000	1	129.5460	0.000	1	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,5a]N[5])	132.8780	0.000	1	132.5580	0.122	3	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]N[5])	132.1860	0.000	1	132.5580	0.122	3	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,5a]N[5])	132.6100	0.000	1	132.5580	0.122	3	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,5a]N[5])	131.4400	0.000	1	131.5645	0.031	2	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|O<1>,3|C<3>}	O(C[5]C[5,5a]N[5])	131.6890	0.000	1	131.5645	0.031	2	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,5a]N[5])	131.7620	0.481	2	131.7620	0.231	2	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,5a]N[5])	130.2740	0.141	2	130.2740	0.020	2	132.1068	1.824	50	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,5a]N[5])	128.8590	0.000	1	128.8590	0.000	1	128.8590	0.000	1	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	O(C[5]C[5,5a]N[5])	131.1190	0.000	1	131.0515	0.009	2	131.0515	0.009	2	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	O(C[5]C[5,5a]N[5])	130.9840	0.000	1	131.0515	0.009	2	131.0515	0.009	2	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O)	O(C[5]C[5,5a]N[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O){1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,5a]N[5])	129.2520	0.000	1	129.2520	0.000	1	129.2520	0.000	1	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O)	O(C[5]C[5,5a]N[5,5a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O){1|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O){4|C<3>}	O(C[5]C[5,5a]N[5,5a])	132.4760	0.000	1	132.4760	0.000	1	132.4760	0.000	1	130.8579	4.330	92	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:2:3:	3:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O)	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O)	O(C[5]C[5,5a]C[5,5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O){3|C<3>,3|C<4>}	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>}	O(C[5]C[5,5a]C[5,5])	132.5980	0.000	1	132.5980	0.000	1	132.5980	0.000	1	131.1170	1.703	3	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:2:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O){1|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,5a]C[5])	130.1350	0.000	1	130.1350	0.000	1	130.3765	0.117	2	131.1170	1.703	3	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:2:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O){1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	O(C[5]C[5,5a]C[5])	130.6180	0.000	1	130.6180	0.000	1	130.3765	0.117	2	131.1170	1.703	3	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5,5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O)	O(C[5]C[5,5a]C[5,5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O){2|H<1>,3|C<3>,3|C<4>}	O(C[5]C[5,5a]C[5,5])	130.1230	0.000	1	130.1230	0.000	1	130.1230	0.000	1	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5,6]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O)	O(C[5]C[5,5a]C[5,6])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5a]C[5,6])	129.2870	0.000	1	129.2870	0.000	1	129.2870	0.000	1	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5,6]-4:O-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H)	O(C[5]C[5,5a]C[5,6])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H){2|C<4>,4|H<1>}	O(C[5]C[5,5a]C[5,6])	128.5900	0.000	1	128.5900	0.000	1	128.5900	0.000	1	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5])	130.4215	0.015	2	130.4215	0.000	2	130.4028	1.005	15	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5])	131.0440	0.000	1	131.0440	0.000	1	130.4028	1.005	15	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O){1|O<1>,1|S<2>,2|C<3>,2|F<1>}	O(C[5]C[5,5a]C[5])	130.9729	0.573	7	130.9729	0.328	7	130.4028	1.005	15	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|F<1>}	O(C[5]C[5,5a]C[5])	131.1860	0.000	1	131.1860	0.000	1	130.4028	1.005	15	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){1|Ni<4>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]C[5])	129.4255	0.100	2	129.4255	0.010	2	130.4028	1.005	15	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,5a]C[5])	128.6540	0.874	2	128.6540	0.764	2	130.4028	1.005	15	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5a]C[5])	130.4050	0.000	1	130.4050	0.000	1	129.8565	0.929	4	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,5a]C[5])	129.0650	0.403	2	129.0650	0.162	2	129.8565	0.929	4	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,5a]C[5])	130.8910	0.000	1	130.8910	0.000	1	129.8565	0.929	4	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,5a]C[5])	128.3740	0.000	1	128.3740	0.000	1	128.3740	0.000	1	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|S<4>,2|C<3>,5|H<1>}	O(C[5]C[5,5a]C[5])	129.4315	0.080	2	129.4315	0.006	2	129.3670	0.609	4	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<2>,2|C<3>,5|H<1>}	O(C[5]C[5,5a]C[5])	128.3530	0.000	1	128.3530	0.000	1	129.3670	0.609	4	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,5a]C[5])	130.2520	0.000	1	130.2520	0.000	1	129.3670	0.609	4	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<4>,4|H<1>}	O(C[5]C[5,5a]C[5])	129.0913	0.190	7	129.0913	0.036	7	128.5759	0.690	11	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){1|Br<1>,1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,5a]C[5])	127.2220	0.000	1	127.2220	0.000	1	128.5759	0.690	11	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	O(C[5]C[5,5a]C[5])	127.0580	0.000	1	127.8247	0.650	3	128.5759	0.690	11	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	3:4:1:	3:3:3:	3:	C[5,5a]-3:C[5]-4:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	O(C[5]C[5,5a]C[5])	128.2080	0.646	2	127.8247	0.650	3	128.5759	0.690	11	129.5696	1.355	38	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,5a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,5a]-3:O-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H)	O(C[5]C[5,5a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,5a]C[5,5])	128.4337	0.545	3	128.4337	0.296	3	128.4337	0.296	3	128.4337	0.296	3	130.4413	3.935	154	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:2:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.2985	0.521	2	130.2985	0.272	2	130.2985	0.272	2	130.2370	0.106	4	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:2:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.0510	0.000	1	130.1755	0.031	2	130.1755	0.031	2	130.2370	0.106	4	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:2:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.3000	0.000	1	130.1755	0.031	2	130.1755	0.031	2	130.2370	0.106	4	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.9120	0.402	2	126.9945	2.885	4	122.5487	2.169	77	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	124.4760	0.000	1	126.9945	2.885	4	122.5487	2.169	77	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.6780	0.000	1	126.9945	2.885	4	122.5487	2.169	77	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	123.7230	0.000	1	122.3051	1.011	73	122.5487	2.169	77	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	122.2854	0.998	72	122.3051	1.011	73	122.5487	2.169	77	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O)	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5])	124.0420	0.997	2	124.0420	0.994	2	124.0370	0.497	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O)	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]O[5])	124.0270	0.000	1	124.0270	0.000	1	124.0370	0.497	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	129.6660	0.000	1	129.6660	0.000	1	130.1023	0.938	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]O[5])	129.4290	0.000	1	130.3205	1.590	2	130.1023	0.938	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[5,6a]O[5])	131.2120	0.000	1	130.3205	1.590	2	130.1023	0.938	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O){1|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	133.4610	0.000	1	133.4610	0.000	1	133.0985	0.263	2	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,3|C<3>}	O(C[5]C[5,6a]O[5])	132.7360	0.000	1	132.7360	0.000	1	133.0985	0.263	2	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<2>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]O[5])	129.6660	0.000	1	129.6883	0.072	3	129.6883	0.072	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	129.6995	0.380	2	129.6883	0.072	3	129.6883	0.072	3	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	132.3475	0.227	4	132.3475	0.051	4	132.3475	0.051	4	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	125.3960	0.000	1	125.3960	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.9405	0.456	2	130.9405	0.208	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.7170	0.000	1	130.8921	0.400	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.7530	0.796	4	130.8921	0.400	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>}	O(C[5]C[5,6a]O[5])	130.3890	0.000	1	130.8921	0.400	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.7120	0.000	1	130.8921	0.400	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.8030	0.000	1	130.8921	0.400	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	131.3960	0.000	1	130.8921	0.400	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,6a]O[5])	128.9510	0.000	1	128.9510	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	131.0690	0.000	1	131.0690	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.7070	0.000	1	130.2689	0.660	49	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(C[5]C[5,6a]O[5])	130.3415	0.267	2	130.2689	0.660	49	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.9880	0.000	1	130.2689	0.660	49	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.2308	0.815	44	130.2689	0.660	49	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	O(C[5]C[5,6a]O[5])	129.6470	0.000	1	130.2689	0.660	49	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.7010	0.000	1	130.7010	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5])	130.0200	0.000	1	130.0200	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]O[5])	131.4750	0.000	1	131.4750	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O(C[5]C[5,6a]O[5])	129.6430	0.000	1	129.6200	0.001	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|O<2>}	O(C[5]C[5,6a]O[5])	129.5970	0.000	1	129.6200	0.001	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5])	131.6620	0.000	1	131.6620	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]O[5])	131.1030	0.000	1	131.1030	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]O[5])	130.8920	0.000	1	131.2977	0.087	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5])	131.3579	0.290	7	131.2977	0.087	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]O[5])	131.2820	0.000	1	131.2977	0.087	9	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.9540	0.000	1	131.7072	0.612	5	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]O[5])	132.0855	1.235	2	131.7072	0.612	5	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]O[5])	131.7055	0.260	2	131.7072	0.612	5	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.4920	0.124	6	130.6573	0.204	7	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.6490	0.000	1	130.6573	0.204	7	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	131.7340	0.000	1	130.9135	1.346	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]O[5])	130.0930	0.000	1	130.9135	1.346	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5])	132.4550	0.315	2	131.1410	1.500	5	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.3770	0.266	2	131.1410	1.500	5	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.0410	0.000	1	131.1410	1.500	5	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.4810	0.000	1	131.2915	0.072	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.1020	0.000	1	131.2915	0.072	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){2|Br<1>,1|C<3>,1|O<1>}	O(C[5]C[5,6a]O[5])	132.2062	0.369	16	132.1363	0.211	17	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.0180	0.000	1	132.1363	0.211	17	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]O[5])	134.1300	0.000	1	131.9143	3.836	3	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.1990	0.000	1	131.9143	3.836	3	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.4140	0.000	1	131.9143	3.836	3	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]O[5])	132.1295	0.320	2	132.1295	0.103	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	129.5145	0.050	2	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.7406	0.547	8	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]O[5])	129.7370	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,6a]O[5])	130.8585	0.325	2	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.7286	0.493	11	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	131.7570	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	133.3660	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	129.8790	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]O[5])	132.1740	0.107	2	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]O[5])	131.5434	0.273	5	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]O[5])	131.7985	0.361	2	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.7290	0.237	4	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]O[5])	131.9077	0.327	3	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.1240	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]O[5])	130.5200	0.482	4	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.3355	0.619	2	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]O[5])	132.2620	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]O[5])	132.2720	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.8030	0.304	11	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.8712	0.316	6	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.5600	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,3|H<1>}	O(C[5]C[5,6a]O[5])	131.0870	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	129.7092	0.676	44	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]O[5])	129.9820	1.143	6	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.6285	0.889	2	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.5290	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.2513	0.479	3	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.5130	0.000	1	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	O(C[5]C[5,6a]O[5])	130.8305	0.407	6	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.4770	0.420	12	130.5733	0.926	146	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.5950	0.003	2	131.5950	0.000	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.5000	0.000	1	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6a]O[5])	127.7150	0.000	1	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.9170	0.000	1	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,6a]O[5])	132.5420	0.000	1	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[5,6a]O[5])	131.7675	1.143	2	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.8360	0.000	1	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]O[5])	132.1525	0.869	2	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	130.0940	0.585	3	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,4|H<1>}	O(C[5]C[5,6a]O[5])	132.4435	0.405	2	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	132.4360	0.000	1	131.2637	1.989	15	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]O[5])	131.2430	0.000	1	131.2430	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6a]O[5])	131.5590	0.000	1	132.4650	1.642	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	133.3710	0.000	1	132.4650	1.642	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5])	130.9890	0.000	1	130.9890	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,3|C<4>}	O(C[5]C[5,6a]O[5])	131.0345	0.339	2	131.0345	0.115	2	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<2>,1|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5])	120.3360	0.000	1	121.8390	5.773	3	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]O[5])	120.5710	0.000	1	121.8390	5.773	3	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,3|O<2>}	O(C[5]C[5,6a]O[5])	124.6100	0.000	1	121.8390	5.773	3	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O)	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,2|O<2>,3|C<3>}	O(C[5]C[5,6a]O[5])	125.9013	0.884	6	125.9013	0.781	6	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	126.8647	0.705	6	126.8647	0.497	6	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	O(C[5]C[5,6a]O[5])	126.8540	0.000	1	126.8540	0.000	1	130.4821	2.669	307	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O){2|H<1>,2|N<3>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.8850	0.215	2	130.8850	0.046	2	130.1994	0.265	7	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	129.8765	0.230	2	129.8765	0.053	2	130.1994	0.265	7	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	129.6440	0.000	1	129.9577	0.083	3	130.1994	0.265	7	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|S<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.1145	0.136	2	129.9577	0.083	3	130.1994	0.265	7	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,6a]O[5])	129.8310	0.000	1	129.8310	0.000	1	130.0040	0.060	2	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.1770	0.000	1	130.1770	0.000	1	130.0040	0.060	2	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5,6a]O[5])	129.9940	0.000	1	129.9940	0.000	1	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5])	131.9920	0.000	1	130.6328	0.795	5	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	129.9970	0.000	1	130.6328	0.795	5	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.1110	0.000	1	130.6328	0.795	5	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	129.9680	0.000	1	130.6328	0.795	5	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){3|H<1>,4|C<3>}	O(C[5]C[5,6a]O[5])	131.0960	0.000	1	130.6328	0.795	5	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5,6a]O[5])	130.6060	0.000	1	130.5200	0.015	2	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.4340	0.000	1	130.5200	0.015	2	130.5247	0.505	8	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	131.1530	0.000	1	131.1530	0.000	1	131.1843	0.037	4	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5])	130.9240	0.000	1	130.9240	0.000	1	131.1843	0.037	4	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O)	O(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]O[5])	131.3300	0.000	2	131.3300	0.000	2	131.1843	0.037	4	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O)	O(C[5]C[5,6a]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]S[5])	126.9725	0.301	2	126.9725	0.090	2	126.9725	0.090	2	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:Se[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O)	O(C[5]C[5,6a]Se[5])	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]Se[5])	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	128.9894	12.059	423	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	O(C[5]C[5,6a]2)	127.2944	0.385	5	127.2944	0.148	5	127.2944	0.148	5	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|Cl<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){1|O<1>,4|C<3>}	O(C[5]C[5,6a]2)	125.5905	0.190	2	125.3653	0.170	3	125.3653	0.170	3	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){1|O<1>,4|C<3>}	O(C[5]C[5,6a]2)	124.9150	0.000	1	125.3653	0.170	3	125.3653	0.170	3	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5])	124.7450	0.000	1	124.7450	0.000	1	124.7450	0.000	1	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.0980	0.455	2	129.1688	0.127	5	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.2160	0.377	3	129.1688	0.127	5	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.3613	0.818	6	129.3613	0.670	6	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.5810	0.000	1	128.5810	0.000	1	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	126.0955	0.001	2	127.3147	4.459	3	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.7530	0.000	1	127.3147	4.459	3	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.5687	0.227	3	128.5687	0.052	3	128.7913	1.310	18	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]O[6a])(N[5]C[5]H)(O){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O){1|H<1>,2|C<3>,2|O<1>}	O(C[5]C[5,6a]N[5])	129.0970	0.461	2	129.0970	0.213	2	129.0970	0.213	2	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:S[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	127.3150	0.392	2	127.3150	0.153	2	127.3150	0.153	2	128.0123	2.403	31	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a])	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	128.1320	0.000	1	128.1320	0.000	1	127.6515	0.462	2	127.6515	0.462	2	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a])	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a]){4|C<3>}	O(C[5]C[5,6a]2)	127.1710	0.000	1	127.1710	0.000	1	127.6515	0.462	2	127.6515	0.462	2	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5,6a])	126.3690	0.000	1	126.3690	0.000	1	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]C[5,6a])	125.6492	0.538	5	125.7847	0.287	7	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5,6a])	126.4700	0.000	1	125.7847	0.287	7	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5,6a])	125.7770	0.000	1	125.7847	0.287	7	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]C[5,6a])	126.5320	0.000	1	126.5320	0.000	1	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]C[5,6a])	125.6210	0.044	3	125.6210	0.002	3	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,5a]C[5,6a])	128.0585	0.006	2	128.2507	0.111	3	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|O<2>,3|C<3>}	O(C[5]C[5,5a]C[5,6a])	128.6350	0.000	1	128.2507	0.111	3	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,5a]C[5,6a])	128.6210	0.000	1	128.6210	0.000	1	126.4769	1.436	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5,6a])	127.0705	0.233	6	127.0705	0.054	6	127.0705	0.054	6	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,6])	125.6480	0.000	1	125.6480	0.000	1	125.7628	0.324	5	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	125.8685	0.680	2	125.8685	0.462	2	125.7628	0.324	5	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	125.7145	0.892	2	125.7145	0.795	2	125.7628	0.324	5	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.0910	0.096	2	126.5875	0.269	8	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.2047	0.366	3	126.5875	0.269	8	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.2940	0.000	1	126.5875	0.269	8	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	126.2960	0.000	1	126.5875	0.269	8	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.3140	0.000	1	126.5875	0.269	8	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.1208	0.424	4	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	125.9280	0.000	1	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.4420	0.000	1	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.3671	0.446	7	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.1493	0.807	3	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5,6])	126.4700	0.000	1	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	125.0940	0.000	1	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.0482	0.172	5	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.1520	0.000	1	126.4928	0.428	24	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5,6])	128.0390	0.535	5	128.0390	0.286	5	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	128.4480	0.352	2	128.4480	0.124	2	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	129.2220	0.274	2	129.2220	0.075	2	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.5670	0.419	2	130.2106	0.339	5	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5,6])	130.1020	0.000	1	130.2106	0.339	5	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5,6])	129.3030	0.000	1	130.2106	0.339	5	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.5140	0.000	1	130.2106	0.339	5	127.2851	1.983	46	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]C[5,6])	127.2120	0.164	2	127.2120	0.027	2	127.2120	0.027	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	O(C[5]C[5,6a]2)	127.0430	1.362	2	127.8604	0.802	7	127.7711	0.935	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	O(C[5]C[5,6a]2)	128.9190	0.000	1	127.8604	0.802	7	127.7711	0.935	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	O(C[5]C[5,6a]2)	127.7720	0.180	2	127.8604	0.802	7	127.7711	0.935	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	O(C[5]C[5,6a]2)	128.2370	0.412	2	127.8604	0.802	7	127.7711	0.935	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	O(C[5]C[5,6a]2)	127.4585	1.554	2	127.4585	2.413	2	127.7711	0.935	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	127.0930	0.288	2	127.0930	0.083	2	127.0930	0.083	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<2>,7|C<3>}	O(C[5]C[5,6a]2)	128.3247	1.179	3	128.3247	1.391	3	128.2390	0.957	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){8|C<3>}	O(C[5]C[5,6a]2)	127.9820	0.000	1	127.9820	0.000	1	128.2390	0.957	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,6|C<3>}	O(C[5]C[5,6a]2)	127.7647	0.433	6	127.7647	0.188	6	127.8047	0.168	7	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O){7|C<3>}	O(C[5]C[5,6a]2)	128.0450	0.000	1	128.0450	0.000	1	127.8047	0.168	7	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]2)	126.9590	0.000	1	126.2435	1.024	2	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	125.5280	0.000	1	126.2435	1.024	2	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.7693	0.223	6	126.7134	0.063	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.3780	0.000	1	126.7134	0.063	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	O(C[5]C[5,6a]2)	128.1838	0.585	5	128.0407	0.368	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	O(C[5]C[5,6a]2)	128.1730	0.000	1	128.0407	0.368	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]2)	127.1930	0.000	1	128.0407	0.368	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]2)	129.9635	0.104	2	129.9635	0.011	2	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]2)	130.1480	0.000	1	130.1480	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){7|C<3>}	O(C[5]C[5,6a]2)	128.4690	0.000	1	128.4690	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){1|C<4>,4|C<3>}	O(C[5]C[5,6a]2)	127.8420	0.000	1	127.4610	0.290	2	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){2|C<4>,3|C<3>}	O(C[5]C[5,6a]2)	127.0800	0.000	1	127.4610	0.290	2	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	O(C[5]C[5,6a]2)	127.9780	0.000	1	128.5059	0.292	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	O(C[5]C[5,6a]2)	128.5666	0.592	5	128.5059	0.292	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	128.7300	0.000	1	128.5059	0.292	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.3070	0.000	1	127.3070	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.7560	0.000	1	127.7560	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.0780	0.000	1	127.0780	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	124.9280	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.2410	0.629	5	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	125.2940	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	126.8700	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]2)	126.0310	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.3270	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]2)	126.2155	0.796	10	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	125.9090	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>}	O(C[5]C[5,6a]2)	126.3390	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.0450	1.881	3	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]2)	125.8930	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.1510	0.407	10	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]2)	126.7860	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	O(C[5]C[5,6a]2)	127.3205	0.235	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.5650	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.3920	0.513	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.9215	1.023	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]2)	127.0043	0.330	3	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.4265	1.336	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]2)	127.4220	0.237	4	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	128.2990	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.3580	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	O(C[5]C[5,6a]2)	126.9640	1.370	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]2)	127.2015	0.144	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]2)	127.5032	0.720	4	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	127.7603	0.639	6	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,4|C<3>}	O(C[5]C[5,6a]2)	127.1680	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,4|C<3>}	O(C[5]C[5,6a]2)	127.3495	0.907	2	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	129.2540	0.000	1	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.1718	0.585	21	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	O(C[5]C[5,6a]2)	127.4022	0.873	8	126.9243	0.802	102	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|F<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.6280	0.000	1	127.2064	3.026	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.1362	1.895	6	127.2064	3.026	7	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C){1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	129.7860	0.000	1	129.7860	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H){1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.4620	0.000	1	127.4620	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	128.6705	0.567	4	128.6705	0.322	4	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,5|C<3>}	O(C[5]C[5,6a]2)	127.4595	0.999	2	128.1450	1.909	3	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,5|C<3>}	O(C[5]C[5,6a]2)	129.5160	0.000	1	128.1450	1.909	3	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.5100	0.573	2	127.1820	0.295	29	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){4|C<3>}	O(C[5]C[5,6a]2)	127.7750	0.000	1	127.1820	0.295	29	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]2)	127.1340	0.540	26	127.1820	0.295	29	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	128.3960	0.000	1	128.3960	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	127.0902	0.112	6	127.0902	0.013	6	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	127.1047	0.287	3	127.1047	0.082	3	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N){4|C<3>}	O(C[5]C[5,6a]2)	128.1310	0.000	1	128.1310	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	125.0450	0.000	1	125.0450	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	125.7670	0.000	1	125.8994	0.136	10	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]2)	125.6390	0.000	1	125.8994	0.136	10	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]2)	125.7883	0.388	4	125.8994	0.136	10	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	126.1088	0.391	4	125.8994	0.136	10	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	125.9720	0.000	1	125.9720	0.000	1	127.1419	1.076	202	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O){2|N<3>,5|C<3>}	O(C[5]C[5,6a]2)	128.8980	0.000	1	128.8980	0.000	1	128.8980	0.000	1	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	129.4970	0.000	1	129.4970	0.000	1	128.5315	1.864	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	127.5660	0.000	1	127.5660	0.000	1	128.5315	1.864	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	127.2410	0.141	3	127.2410	0.020	3	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	O(C[5]C[5,6a]2)	128.1645	0.153	2	127.5192	0.563	4	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	O(C[5]C[5,6a]2)	126.8740	0.000	2	127.5192	0.563	4	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]2)	127.8773	1.803	3	127.8773	3.250	3	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	128.1500	0.000	1	128.1500	0.000	1	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	128.6300	0.470	2	128.6300	0.220	2	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]2)	129.0570	0.000	1	129.0570	0.000	1	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	O(C[5]C[5,6a]2)	128.5644	0.262	5	128.5644	0.069	5	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	O(C[5]C[5,6a]2)	128.4340	0.247	2	128.4340	0.061	2	128.0757	0.763	21	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<1>,6|C<3>}	O(C[5]C[5,6a]2)	126.9690	0.000	1	126.9690	0.000	1	126.9690	0.000	1	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	128.1440	0.000	1	128.1440	0.000	1	128.1504	0.400	12	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	128.2697	0.362	4	128.2697	0.131	4	128.1504	0.400	12	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	128.0222	0.492	5	128.0222	0.242	5	128.1504	0.400	12	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	129.4360	0.000	1	129.4360	0.000	1	128.1504	0.400	12	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(O){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	O(C[5]C[5,6a]2)	127.0350	0.000	1	127.0350	0.000	1	128.1504	0.400	12	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	131.0618	0.286	4	131.0618	0.082	4	131.0618	0.082	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,4|C<3>}	O(C[5]C[5,6a]C[5])	128.1050	0.566	2	128.1050	0.320	2	129.4492	1.246	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	128.4520	0.000	1	128.4520	0.000	1	129.4492	1.246	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	129.1118	0.334	9	129.1118	0.112	9	129.4492	1.246	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	131.1298	0.425	4	131.1298	0.180	4	129.4492	1.246	16	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.0785	0.313	2	127.0785	0.098	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O){1|H<1>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	O(C[5]C[5,6a]C[5])	130.7460	0.000	1	130.7460	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	124.9700	0.000	1	124.9700	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5])	129.1590	0.000	1	129.1590	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.6975	0.735	2	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.7590	0.561	4	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	125.9820	0.000	1	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.1313	0.238	3	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.3896	0.169	13	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	125.6732	0.296	4	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.2400	0.000	1	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.5497	0.310	3	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	127.0880	0.004	2	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.7240	0.000	1	126.1869	1.763	34	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	123.4230	0.000	1	123.4230	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	127.3750	0.000	1	127.3750	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.5440	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.0990	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.5953	0.366	3	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.2560	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.4185	0.863	4	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.6380	0.523	4	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.1795	1.100	42	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.4308	1.154	4	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	124.7220	2.045	6	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.2890	0.391	4	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	125.7090	0.279	3	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.1450	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	126.7120	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	125.7371	0.766	18	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	125.8320	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	124.9055	0.648	2	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.4637	1.243	3	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	125.2140	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	123.3730	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.0975	0.293	4	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.7097	0.606	29	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	125.7340	0.000	1	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.8754	0.779	5	125.7973	1.495	140	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.5280	0.000	1	127.5280	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	124.3655	0.077	2	123.7291	0.479	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.4212	0.511	11	123.7291	0.479	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	124.8000	0.000	1	123.7291	0.479	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	124.7730	0.000	1	123.7291	0.479	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	124.5500	0.000	1	124.5500	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.6444	0.394	7	126.6444	0.155	7	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5]C[5,6a]C[5])	130.9970	0.000	1	130.9970	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.9550	0.000	1	128.9550	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.9400	0.160	2	127.5991	0.630	21	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.6349	0.894	8	127.5991	0.630	21	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.2958	0.432	6	127.5991	0.630	21	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.8750	0.000	1	127.5991	0.630	21	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.7657	1.321	3	127.5991	0.630	21	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.6750	0.000	1	127.5991	0.630	21	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.4000	0.000	1	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.3967	1.369	3	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	129.0095	0.326	2	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	128.8940	0.079	2	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.7997	0.156	3	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.1550	0.000	1	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.3910	0.000	1	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.2885	0.240	2	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.3030	0.000	1	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.9474	1.281	5	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	130.3550	0.000	1	129.4688	1.033	22	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	129.3940	0.000	1	128.5175	1.537	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.6410	0.000	1	128.5175	1.537	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.9105	0.776	2	123.9105	0.602	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.4280	0.000	1	130.4280	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.3010	0.000	1	126.3010	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|S<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	124.9662	0.106	6	126.2254	2.282	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|H<1>,2|S<2>}	O(C[5]C[5,6a]C[5])	127.3910	0.000	1	126.2254	2.282	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	O(C[5]C[5,6a]C[5])	126.9770	0.000	1	126.2254	2.282	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.7920	0.379	2	126.2254	2.282	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.7300	0.000	1	126.2254	2.282	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.3485	0.015	2	128.3485	0.000	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.9133	0.878	3	125.7636	0.512	5	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	125.5390	0.578	2	125.7636	0.512	5	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.6980	0.000	1	126.6980	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.4720	0.000	1	129.6128	1.037	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.2353	0.535	3	129.6128	1.037	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.3970	0.000	2	129.6128	1.037	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.5203	1.230	3	129.6128	1.037	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Ru<6>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.1040	0.655	2	129.6128	1.037	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.1930	0.008	2	125.8540	5.379	3	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.1760	0.000	1	125.8540	5.379	3	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	124.7320	0.223	4	124.7320	0.050	4	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.0970	0.000	1	126.0970	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.3950	0.000	1	126.3950	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.9550	0.000	1	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.6060	0.000	1	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	122.8845	0.705	4	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O(C[5]C[5,6a]C[5])	126.7600	0.000	1	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.2775	0.134	2	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.8725	0.088	2	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	126.6850	0.112	2	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.9990	0.054	2	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Si<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.5640	0.000	1	126.5057	5.314	16	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|N<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	126.2720	0.000	1	126.2720	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5])	124.9560	0.000	1	124.9560	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.7300	0.000	1	127.7300	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.8755	1.216	4	128.8135	1.595	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.1280	0.000	1	128.8135	1.595	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.5530	0.922	6	128.8135	1.595	11	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5])	128.8850	0.000	1	129.3380	0.410	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|Ni<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|Ni<4>,5|C<3>}	O(C[5]C[5,6a]C[5])	129.7910	0.000	1	129.3380	0.410	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.1040	0.000	1	130.7745	0.899	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.4450	0.000	1	130.7745	0.899	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	132.6680	0.000	1	132.6680	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Br<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	132.3730	0.000	1	132.3730	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]C[5])	131.5760	0.000	1	131.9960	0.254	6	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.4190	0.000	1	131.9960	0.254	6	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	132.3860	0.369	3	131.9960	0.254	6	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.8230	0.000	1	131.9960	0.254	6	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]C[5])	130.9719	0.446	11	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]C[5])	130.8411	0.495	7	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	O(C[5]C[5,6a]C[5])	130.6113	0.159	3	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]C[5])	131.0830	0.468	3	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.0784	0.646	42	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5,6a]C[5])	131.0473	0.401	10	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]C[5])	130.7123	0.439	7	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	130.6490	0.000	1	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.6907	0.319	3	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.3910	1.061	4	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.1020	0.546	2	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.1548	0.555	12	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5,6a]C[5])	131.0942	0.349	4	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.2270	0.926	2	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	132.0850	0.062	2	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	131.5485	0.113	4	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.8107	1.640	3	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.4910	0.276	2	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]C[5])	131.3090	0.000	1	131.0624	0.407	123	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	133.3160	0.000	1	133.3160	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]C[5])	133.1620	0.000	1	133.1620	0.000	1	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	129.8200	0.000	2	129.7852	0.419	12	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	130.2350	0.000	1	129.7852	0.419	12	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]C[5])	129.6965	0.448	2	129.7852	0.419	12	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.7364	0.833	7	129.7852	0.419	12	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.5070	0.264	2	126.5070	0.070	2	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	123.3913	0.403	6	125.0356	2.199	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	125.7190	0.000	1	125.0356	2.199	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.1834	0.625	8	125.0356	2.199	15	127.8239	7.155	491	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5,5])	128.8780	0.000	1	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]N[5,5])	129.3210	0.000	1	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5,5])	128.8810	0.000	1	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5])	128.4030	0.000	1	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,5])	128.7930	0.000	1	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,5])	128.2073	0.402	6	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5,5])	128.6130	0.000	1	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,5])	127.9165	0.968	2	128.4261	0.303	14	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]N[5,5])	130.8230	0.000	1	130.8230	0.000	1	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,5])	128.8990	0.000	1	128.8990	0.000	1	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]N[5,5])	128.3307	0.180	3	128.8874	0.561	17	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5])	129.5330	0.000	1	128.8874	0.561	17	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]N[5,5])	128.2060	0.000	1	128.8874	0.561	17	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5])	127.5210	0.000	1	128.8874	0.561	17	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5])	129.2980	0.000	1	128.8874	0.561	17	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,5])	129.1535	0.696	10	128.8874	0.561	17	128.7507	0.595	33	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5a])	130.8257	0.319	3	130.2978	0.512	9	130.2978	0.512	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5a])	130.9210	0.000	1	130.2978	0.512	9	130.2978	0.512	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5a])	128.9520	0.000	1	130.2978	0.512	9	130.2978	0.512	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,5a])	129.8975	0.053	2	130.2978	0.512	9	130.2978	0.512	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5a])	130.2675	0.729	2	130.2978	0.512	9	130.2978	0.512	9	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]N[5,6])	129.5010	0.000	1	129.5010	0.000	1	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.2097	0.194	3	129.1381	0.253	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5,6])	129.0105	1.266	2	129.1381	0.253	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.2940	0.000	1	129.1381	0.253	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.0805	0.111	2	129.1381	0.253	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(C[5]C[5,6a]N[5,6])	128.1890	0.000	1	128.9053	0.498	19	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[5]C[5,6a]N[5,6])	129.3315	0.021	2	128.9053	0.498	19	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.1107	0.201	4	128.9053	0.498	19	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	127.9643	0.075	3	128.9053	0.498	19	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]N[5,6])	128.0510	0.000	1	128.9053	0.498	19	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.2452	0.704	8	128.9053	0.498	19	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	127.6040	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	127.5570	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.5190	0.467	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.2970	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	128.1800	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[5]C[5,6a]N[5,6])	128.1360	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	128.0516	0.322	9	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.5965	0.486	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.5190	0.018	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]N[5,6])	128.4920	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	128.5945	0.930	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,6])	127.9865	0.438	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.2520	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	128.0340	0.485	4	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	128.0400	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	128.3850	0.000	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	128.6570	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	128.1995	0.504	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.3835	0.132	2	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,6])	129.9120	0.000	1	128.5152	0.532	39	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]N[5,6])	131.4070	0.000	1	130.0490	3.688	2	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]N[5,6])	128.6910	0.000	1	130.0490	3.688	2	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	128.3518	0.760	5	128.1974	0.530	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,6])	127.5470	0.000	1	128.1974	0.530	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5,6])	128.1365	0.923	2	128.1974	0.530	8	128.6958	0.636	77	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[5]C[5,6a]N[5,6])	129.0990	0.000	1	129.0990	0.000	1	129.0990	0.000	1	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]N[5,6])	129.1015	0.230	2	129.0707	0.029	3	128.8413	0.230	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,6])	129.0090	0.000	1	129.0707	0.029	3	128.8413	0.230	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O)	O(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]N[5,6])	128.1530	0.000	1	128.1530	0.000	1	128.8413	0.230	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<3>,5|C<3>}	O(C[5]C[5,6a]N[5])	130.3360	0.000	1	130.3360	0.000	1	129.1573	0.332	10	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.8678	0.340	6	129.0263	0.180	9	129.1573	0.332	10	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	O(C[5]C[5,6a]N[5])	129.3433	0.454	3	129.0263	0.180	9	129.1573	0.332	10	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6]O)(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.2100	0.000	1	129.2100	0.000	1	129.2100	0.000	1	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	O(C[5]C[5,6a]N[5])	129.6583	0.536	4	129.6583	0.287	4	129.6583	0.287	4	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.5058	0.424	4	129.5058	0.180	4	129.4035	0.285	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.5200	0.296	3	129.5200	0.088	3	129.4035	0.285	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.1000	0.000	1	129.7250	0.546	3	129.4035	0.285	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	130.0375	0.712	2	129.7250	0.546	3	129.4035	0.285	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.9070	0.440	2	128.9070	0.193	2	129.4035	0.285	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.6740	0.000	1	128.6740	0.000	1	129.4035	0.285	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.6030	0.479	61	129.6030	0.229	61	129.5914	0.236	63	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.7950	0.000	1	129.7950	0.000	1	129.5914	0.236	63	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.6810	0.000	1	128.6810	0.000	1	129.5914	0.236	63	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	127.4580	0.000	1	128.6987	0.781	7	128.3422	0.746	11	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.6560	0.639	2	128.6987	0.781	7	128.3422	0.746	11	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,3|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.5302	0.513	4	128.6987	0.781	7	128.3422	0.746	11	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	127.6040	0.349	2	127.6040	0.122	2	128.3422	0.746	11	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.1120	0.000	1	128.1120	0.000	1	128.3422	0.746	11	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|Si<4>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	127.5530	0.000	1	127.5530	0.000	1	128.3422	0.746	11	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]N[5])	129.6851	0.463	8	129.6851	0.215	8	129.6593	1.764	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	130.4245	1.759	2	130.4245	3.093	2	129.6593	1.764	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]N)(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.6235	0.325	2	130.6235	0.105	2	129.6593	1.764	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	125.9940	0.000	1	125.9940	0.000	1	129.6593	1.764	13	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|B<4>,1|C<3>,1|O<1>}	O(C[5]C[5,6a]N[5])	126.9335	0.366	2	126.9335	0.134	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<4>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.6465	1.411	2	127.6465	1.990	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.6405	0.432	4	129.4338	0.284	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.0205	0.590	2	129.4338	0.284	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.8262	0.535	10	129.8886	0.301	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]N[5])	130.5130	0.000	1	129.8886	0.301	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.6530	0.000	1	127.8982	0.462	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.1195	0.405	2	127.8982	0.462	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]N[5])	128.1657	0.271	3	127.8982	0.462	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.0030	0.000	1	128.0030	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.0060	0.000	1	128.0060	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]N[5])	126.8940	0.000	1	128.3304	0.635	7	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.4797	0.434	3	128.3304	0.635	7	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.3100	0.495	2	128.3304	0.635	7	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.3600	0.000	1	128.3304	0.635	7	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.6190	0.000	1	127.7488	0.792	5	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.3680	0.000	1	127.7488	0.792	5	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.5857	1.159	3	127.7488	0.792	5	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.3435	0.848	2	128.3435	0.719	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]N)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]N[5])	130.0090	0.000	1	130.0090	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]S)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]S)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.9860	0.000	1	129.9860	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.2314	0.576	21	128.2314	0.332	21	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	127.3845	1.044	4	127.3845	1.090	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5])(O){1|F<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	O(C[5]C[5,6a]N[5])	127.3885	2.115	2	127.3885	4.473	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.7000	0.470	4	129.7000	0.221	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	127.1598	0.369	5	127.4366	0.221	10	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	127.7134	0.413	5	127.4366	0.221	10	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.3505	0.617	2	127.3505	0.381	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.9263	0.697	28	129.0082	0.549	36	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.2949	0.865	8	129.0082	0.549	36	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]O)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.4960	0.000	1	128.4960	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.1573	0.604	4	129.6179	0.432	32	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.7090	0.000	1	129.6179	0.432	32	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]N[5])	129.4940	0.000	1	129.6179	0.432	32	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3300	0.431	4	129.6179	0.432	32	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.8347	0.739	16	129.6179	0.432	32	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.7108	0.377	6	129.6179	0.432	32	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[5]C[5,6a]N[5])	126.5840	0.000	1	126.5840	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	127.3000	0.940	2	127.3000	0.884	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.0460	0.000	1	129.0460	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.2240	0.179	3	129.2240	0.032	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	O(C[5]C[5,6a]N[5])	129.6337	0.588	4	128.9486	0.358	20	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.7773	0.478	16	128.9486	0.358	20	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]N[5])	129.7510	0.000	1	129.7510	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]N[5])	129.5770	0.000	1	129.5770	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.7597	0.303	4	129.8727	0.115	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	130.0985	0.383	2	129.8727	0.115	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.9950	1.166	4	128.6318	1.188	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.9055	0.525	2	128.6318	1.188	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	130.2110	0.000	1	128.9525	3.168	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5])	127.6940	0.000	1	128.9525	3.168	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]N[5])	128.1405	0.440	4	128.7599	0.724	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.5310	0.000	1	128.7599	0.724	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5,6a]N[5])	129.3614	0.506	5	128.7599	0.724	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	127.4590	0.000	1	128.7599	0.724	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.3320	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.8850	0.751	11	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.2095	0.049	2	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.1150	0.168	4	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.3770	0.117	2	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.0452	0.460	5	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.8110	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]N[5])	128.6433	0.191	3	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	O(C[5]C[5,6a]N[5])	130.0530	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]N[5])	129.1120	0.486	13	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	129.0700	0.404	8	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3642	0.652	637	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5,6a]N[5])	128.5710	0.065	2	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.9363	0.584	16	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|N<3>,2|O<1>}	O(C[5]C[5,6a]N[5])	128.2330	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.2540	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.4758	0.638	32	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.5325	0.972	2	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.9197	0.577	4	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.5787	0.199	3	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.6510	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.8721	0.385	14	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.2410	0.293	3	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]N[5])	128.1990	0.000	1	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.2295	0.467	6	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5])	128.3083	0.912	19	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]N[5])	128.4247	0.379	3	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.5626	0.517	5	129.2561	0.519	801	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.6410	1.381	6	128.6410	1.907	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	130.3250	0.000	1	129.6085	1.027	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[5]C[5,6a]N[5])	128.8920	0.000	1	129.6085	1.027	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.4460	0.000	1	129.4460	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.9940	0.000	1	131.4650	4.328	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	132.9360	0.000	1	131.4650	4.328	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.9150	0.000	1	127.9150	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]N[5])	128.6325	0.807	2	128.6325	0.651	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.0463	0.589	12	128.0463	0.347	12	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.4712	0.836	8	129.4712	0.698	8	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5,6a]N[5])	129.3240	1.356	2	129.3240	1.839	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.4540	0.714	8	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.8320	1.246	4	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]N[5])	129.3236	0.651	9	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3413	0.695	35	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.0665	0.301	4	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.4677	0.475	10	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]N[5])	128.2860	0.000	1	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]N[5])	128.5188	0.656	5	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	128.6310	0.000	1	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.7822	0.759	31	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.3595	0.298	4	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5])	127.8560	0.240	2	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.3170	0.000	1	129.0086	0.737	115	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.9588	0.112	4	129.9588	0.013	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]N[5])	131.8105	0.223	2	131.8105	0.050	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]N[5])	130.2210	0.000	1	130.2210	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	127.7075	2.095	2	127.3783	2.520	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.7200	0.000	1	127.3783	2.520	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	125.1680	0.000	1	126.2010	0.803	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.7175	0.069	2	126.2010	0.803	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O(C[5]C[5,6a]N[5])	128.0350	0.000	1	127.7027	0.085	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<2>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.5365	0.064	2	127.7027	0.085	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.9080	0.000	1	128.9080	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]N[5])	127.6770	0.000	1	127.6770	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.4395	0.749	2	128.5337	0.201	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.6280	0.081	2	128.5337	0.201	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	128.1330	0.000	1	128.1330	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]N[5])	128.6080	0.000	1	128.6080	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	O(C[5]C[5,6a]N[5])	128.5030	0.246	2	128.5030	0.061	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.1910	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.4660	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.6405	0.108	2	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5])	127.3180	0.641	4	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<1>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.4220	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	126.7870	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.5292	0.843	4	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.0273	0.653	3	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.1228	0.616	11	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.5342	0.464	6	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.6465	0.715	2	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.3430	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.7663	0.776	31	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.7090	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,4|H<1>}	O(C[5]C[5,6a]N[5])	127.7190	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]N[5])	127.5420	0.000	1	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]N[5])	127.2403	0.202	3	128.4764	0.908	74	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]N[5])	130.9940	0.000	1	130.9940	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.5350	0.105	2	127.5350	0.011	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.8110	0.000	1	126.8110	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.0700	0.000	1	128.0700	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|O<1>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	128.2610	0.383	2	128.2610	0.147	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.3995	0.293	4	129.9882	0.804	85	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,6a]N[5])	130.1250	0.000	1	129.9882	0.804	85	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.4328	0.787	40	129.9882	0.804	85	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.5990	0.608	40	129.9882	0.804	85	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.7541	0.502	8	129.7541	0.252	8	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.9850	0.368	2	130.7013	4.300	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	132.4175	0.992	2	130.7013	4.300	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O){1|F<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Ni<4>,1|C<3>,1|N<2>,2|F<1>}	O(C[5]C[5,6a]N[5])	123.8930	0.000	1	123.8930	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,2|O<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.5500	0.000	1	129.5500	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]N[5])	131.0027	0.805	4	131.0027	0.647	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.8980	0.000	1	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]N[5])	130.1700	0.641	2	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.4493	0.371	3	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	131.0634	1.007	48	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	129.6465	0.931	2	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]N[5])	128.8275	0.397	2	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.5505	0.074	2	130.8113	1.178	60	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.2223	0.483	4	129.2223	0.233	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.5300	0.000	1	126.0238	2.101	19	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.3005	0.512	14	126.0238	2.101	19	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<6>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	122.2400	0.035	2	126.0238	2.101	19	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.1175	0.224	2	126.0238	2.101	19	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pt)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pt)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pt<4>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.6015	0.554	2	126.6015	0.307	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.2705	0.501	6	128.2705	0.251	6	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|S<4>,4|H<1>}	O(C[5]C[5,6a]N[5])	129.8140	0.000	1	129.8140	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.0270	0.000	1	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.4407	0.291	3	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.1572	1.093	49	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3390	0.677	2	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.5960	0.000	1	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.6680	0.000	1	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.4700	0.000	1	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.1520	0.587	6	129.9278	1.155	64	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(O){1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|Sn<4>,1|C<3>,1|O<1>,2|F<1>}	O(C[5]C[5,6a]N[5])	126.7775	0.475	4	126.7775	0.226	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.0320	0.000	1	129.0320	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3830	0.622	8	129.4406	0.295	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.5250	0.330	2	129.4406	0.295	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	129.7330	0.000	1	129.4406	0.295	11	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.2537	0.995	4	128.2537	0.989	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	126.8050	0.000	1	126.9055	0.020	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	127.0060	0.000	1	126.9055	0.020	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.9250	0.000	1	128.9250	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.2420	0.000	1	128.2420	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.3650	0.000	1	129.3650	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	O(C[5]C[5,6a]N[5])	131.0107	0.281	3	131.0107	0.079	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O){1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.9740	0.000	1	129.9740	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	130.4140	0.109	2	130.4140	0.012	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.7035	0.678	4	128.5529	0.343	13	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.6840	0.113	2	128.5529	0.343	13	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.8490	0.317	4	128.5529	0.343	13	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.1250	0.392	2	128.5529	0.343	13	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	127.3600	0.000	1	128.5529	0.343	13	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O){1|H<1>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]N[5])	128.4730	0.687	2	128.4730	0.472	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.6687	0.237	4	128.6687	0.056	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.3640	0.000	1	128.3640	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.9070	0.044	2	128.9070	0.002	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.2523	0.070	3	128.7155	0.279	8	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]N[5])	129.0040	0.000	1	128.7155	0.279	8	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.1600	0.089	3	128.7155	0.279	8	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.4830	0.000	1	128.7155	0.279	8	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.4199	0.484	21	129.4199	0.234	21	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|F<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|O<1>,2|C<3>,2|F<1>}	O(C[5]C[5,6a]N[5])	128.9708	0.299	4	128.9708	0.089	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3900	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.4340	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.9910	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.4560	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.5690	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.1603	0.582	7	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.7120	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.3280	0.350	5	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.5835	0.467	2	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.4065	0.483	6	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.9927	0.655	3	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	127.4390	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.0780	0.449	5	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	129.0805	0.739	18	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	128.8205	0.431	2	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.3892	0.491	5	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.2016	0.629	118	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.0550	0.062	2	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	127.0045	0.153	2	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	131.3510	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	129.3551	0.488	8	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.2760	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.2020	0.045	2	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Se<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	132.5590	0.000	1	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.4753	0.336	6	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	124.7090	0.880	2	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	O(C[5]C[5,6a]N[5])	128.3209	0.573	24	128.9254	0.873	227	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.5588	0.330	4	129.5588	0.109	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	130.0870	0.000	1	130.0870	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(O)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(O){1|Pd<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.1410	0.000	1	128.1410	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	126.6650	0.290	2	126.6650	0.084	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]N[5])	124.5200	0.000	1	124.4778	3.342	12	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]N[5])	125.8487	0.994	3	124.4778	3.342	12	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	124.5525	1.779	6	124.4778	3.342	12	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	O(C[5]C[5,6a]N[5])	123.3380	0.000	1	124.4778	3.342	12	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	121.0140	0.000	1	124.4778	3.342	12	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.5690	0.235	2	130.4531	0.231	9	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	130.4200	0.542	7	130.4531	0.231	9	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[6,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[6,6]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	131.6087	0.121	4	131.6087	0.015	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	124.1750	0.310	3	124.1750	0.096	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.0700	0.304	2	126.6943	1.216	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	127.9430	0.000	1	126.6943	1.216	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	127.6373	0.516	3	127.6373	0.266	3	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	126.4173	0.420	3	127.3407	0.397	50	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	127.5014	0.516	40	127.3407	0.397	50	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	126.8180	0.730	7	127.3407	0.397	50	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<1>,3|H<1>}	O(C[5]C[5,6a]N[5])	126.2014	1.024	25	126.2014	1.048	25	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|I<1>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	125.8134	0.653	9	125.8134	0.427	9	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Mn)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Mn)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Mn<6>,1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	122.4460	0.206	2	122.4460	0.043	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,1|F<1>,1|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	123.4210	0.000	1	123.1325	0.166	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	122.8440	0.000	1	123.1325	0.166	2	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<3>,1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	123.9120	0.303	2	124.4419	0.887	20	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	124.5007	0.974	18	124.4419	0.887	20	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|S<2>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	128.3650	0.000	1	128.3650	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Sn)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Sn)(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Sn<5>,1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])	125.9400	0.000	1	125.9400	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	123.2455	1.058	4	123.2455	1.118	4	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	126.2040	0.000	1	126.2040	0.000	1	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	123.5690	0.000	1	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	O(C[5]C[5,6a]N[5])	125.8270	0.317	2	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5,6a]N[5])	125.0033	0.915	3	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6a]N[5])	125.2043	0.667	6	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6a]N[5])	125.5080	0.000	1	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]N[5])	123.8880	0.000	1	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	126.0710	0.000	1	125.1284	0.719	15	128.9228	1.987	2014	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.8730	0.000	1	128.8730	0.000	1	129.4977	1.013	6	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	130.6060	0.000	1	130.6060	0.000	1	129.4977	1.013	6	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,6|C<3>}	O(C[5]C[5,6a]N[5])	128.8325	0.670	2	128.8325	0.448	2	129.4977	1.013	6	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	O(C[5]C[5,6a]N[5])	128.9840	0.000	1	128.9840	0.000	1	129.4977	1.013	6	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	130.8580	0.000	1	130.8580	0.000	1	129.4977	1.013	6	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.5900	0.086	2	128.5900	0.007	2	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.9770	0.033	2	128.9770	0.001	2	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]N[5])	130.7110	0.311	4	130.7110	0.097	4	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	130.1480	0.000	1	130.1480	0.000	1	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])	129.1290	0.000	1	128.7378	0.185	4	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.3820	0.216	2	128.7378	0.185	4	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,6a]N[5])	129.0580	0.000	1	128.7378	0.185	4	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.7770	0.000	1	129.7770	0.000	1	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	128.5830	0.000	1	128.5830	0.000	1	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	130.5657	0.127	3	130.5657	0.016	3	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|S<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	130.6120	0.000	1	130.6120	0.000	1	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	127.7700	0.000	1	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<2>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,2|N<2>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.2070	0.000	1	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[5]C[5,6a]N[5])	128.8910	0.000	1	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.2537	0.333	3	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|S<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|S<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.9780	0.000	1	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.1570	0.000	1	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(C[5]C[5,6a]N[5])	129.4880	0.000	1	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){2|H<1>,5|C<3>}	O(C[5]C[5,6a]N[5])	129.7990	0.474	3	129.1374	0.452	12	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O){2|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.2410	0.717	3	128.2410	0.514	3	129.3564	0.875	34	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]N[5])	129.9858	0.404	6	129.9858	0.164	6	130.0390	0.510	15	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	130.8250	0.549	4	130.8250	0.302	4	130.0390	0.510	15	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]N[5])	129.6968	0.337	4	129.6968	0.114	4	130.0390	0.510	15	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5])	128.5830	0.000	1	128.5830	0.000	1	130.0390	0.510	15	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]N[5])	127.2780	0.000	1	127.2780	0.000	1	128.1245	1.433	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	O(C[5]C[5,6a]N[5])	128.9710	0.000	1	128.9710	0.000	1	128.1245	1.433	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:P[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O)	O(C[5]C[5,6a]P[5])	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]P[5])	125.0050	0.110	2	125.0050	0.012	2	125.0050	0.012	2	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	O(C[5]N[5,6,6]C[5,6a])	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]N[5,6,6]C[5,6a])	128.3870	0.000	1	128.2753	0.064	3	128.2753	0.064	3	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	O(C[5]N[5,6,6]C[5,6a])	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]N[5,6,6]C[5,6a])	128.2195	0.330	2	128.2753	0.064	3	128.2753	0.064	3	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]N[5,6])	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,6])	129.0790	0.000	1	129.0790	0.000	1	129.0790	0.000	1	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|B<5>,1|H<1>,1|O<1>,2|B<6>,2|C<3>,2|C<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.5075	0.073	2	127.9502	0.442	8	127.9502	0.442	8	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<6>,1|H<1>,1|O<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	128.2155	0.674	2	127.9502	0.442	8	127.9502	0.442	8	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	N[5]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]N[5])	127.5390	0.631	4	127.9502	0.442	8	127.9502	0.442	8	128.6013	2.987	3171	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:2:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.4590	0.000	1	126.4590	0.000	1	126.4590	0.000	1	126.4590	0.000	1	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O){2|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5,6a]C[3,5])	128.7970	0.286	2	128.7970	0.082	2	128.7970	0.082	2	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O){1|Si<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[3,5])	126.3560	0.000	1	126.3560	0.000	1	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[3,5])	128.8310	0.000	1	127.7988	0.741	11	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	127.4115	1.118	2	127.7988	0.741	11	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|H<1>,1|O<1>,2|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	128.3210	0.417	4	127.7988	0.741	11	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	127.6635	0.664	2	127.7988	0.741	11	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	126.7610	0.740	2	127.7988	0.741	11	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	128.3010	0.000	1	128.3010	0.000	1	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[5]C[5,6a]C[3,5])	126.7810	0.000	1	126.7810	0.000	1	127.6589	0.808	14	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3x5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O){1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[3x5])	126.6385	0.470	2	126.6385	0.221	2	126.9470	0.146	5	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3x5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[3x5])	127.1527	0.149	3	127.1527	0.022	3	126.9470	0.146	5	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[4,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O){2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[4,5])	128.9010	0.233	2	128.9010	0.054	2	127.1426	0.451	22	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[4,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[4,5])	127.1688	0.503	4	127.0026	0.118	19	127.1426	0.451	22	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[4,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[4,5])	126.9583	0.297	15	127.0026	0.118	19	127.1426	0.451	22	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[4,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	O(C[5]C[5,6a]C[4,5])	126.2850	0.000	1	126.2850	0.000	1	127.1426	0.451	22	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O)	O(C[5]C[5,6a]C[4,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O){3|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O){4|Cl<1>,1|C<3>,2|C<4>}	O(C[5]C[5,6a]C[4,5])	127.8090	0.000	1	127.8090	0.000	1	127.8090	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,3x6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	O(C[5]C[5,3x6]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,3x6]C[5,6a])	126.7970	0.000	1	126.7970	0.000	1	126.7970	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5,6]-4:O-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]2H)(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)	O(C[5]C[5,5,6]C[5,6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	O(C[5]C[5,5,6]C[5,6a])	126.5760	0.000	1	126.5760	0.000	1	126.5760	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5,6]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O)	O(C[5]C[5,5,6]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5,6]C[5,6a])	126.2025	0.264	2	126.2025	0.070	2	126.2025	0.070	2	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	128.0050	0.000	1	128.0050	0.000	1	127.9644	0.194	8	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	128.3440	0.000	1	127.9586	0.226	7	127.9644	0.194	8	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.8943	0.487	6	127.9586	0.226	7	127.9644	0.194	8	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O(C[5]C[5,6a]C[5,5])	129.7200	0.000	1	129.7200	0.000	1	129.7200	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.0506	0.535	14	126.7464	0.951	38	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	125.9213	0.612	4	126.7464	0.951	38	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.1390	0.368	3	126.7464	0.951	38	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	127.5980	0.244	14	126.7464	0.951	38	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	125.3845	0.108	2	126.7464	0.951	38	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	126.4120	0.000	1	126.7464	0.951	38	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.1330	0.286	2	128.1330	0.082	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.9080	0.442	3	126.9080	0.195	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O){1|C<3>,1|F<1>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6a]C[5,5])	126.9610	0.619	2	126.9610	0.384	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	127.2542	0.248	4	127.1165	0.195	6	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	126.8410	0.751	2	127.1165	0.195	6	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.2350	0.000	1	127.7650	0.442	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	127.2950	0.000	1	127.7650	0.442	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	128.2610	0.000	1	128.2610	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	129.4980	0.000	1	129.4980	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.0735	0.824	2	126.5094	0.420	8	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.8320	0.469	4	126.5094	0.420	8	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.3000	0.846	2	126.5094	0.420	8	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.4500	0.000	1	128.0018	0.712	5	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	126.5610	0.000	1	128.0018	0.712	5	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	128.5330	0.000	2	128.0018	0.712	5	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	127.9320	0.000	1	128.0018	0.712	5	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	127.2305	0.298	2	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	127.2370	0.318	2	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.0362	0.265	6	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	127.4100	0.914	2	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	128.6460	0.000	1	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.4835	0.606	2	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.9935	0.221	4	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	127.5360	0.617	2	126.8872	0.598	21	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	130.8130	0.000	1	129.4455	3.740	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.0780	0.000	1	129.4455	3.740	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.8140	0.000	1	128.5007	0.270	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	127.9010	0.000	1	128.5007	0.270	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	128.7870	0.000	1	128.5007	0.270	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5,5])	131.7450	0.000	1	131.0800	0.351	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[5,6a]C[5,5])	130.6070	0.000	1	131.0800	0.351	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5,5])	130.8880	0.000	1	131.0800	0.351	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|Cl<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	130.6680	0.000	1	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	129.9880	0.000	1	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.1300	0.680	2	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.1283	1.304	3	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]C[5,5])	129.0810	0.000	1	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.2770	0.000	1	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.3975	0.602	2	130.1322	0.580	11	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	129.7900	0.000	1	129.8023	0.008	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|S<3>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	129.8085	0.128	2	129.8023	0.008	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	129.3520	0.000	1	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.5620	0.752	2	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	128.5690	0.000	1	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.4570	0.000	1	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.4285	0.753	2	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.3007	0.258	6	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.6261	0.536	8	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|Se<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	127.5480	0.000	1	126.8509	0.881	22	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5,5])	126.6191	0.086	11	126.7971	0.201	13	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5,5])	127.7760	0.280	2	126.7971	0.201	13	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	130.4640	0.000	1	130.4640	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5,6a]C[5,5])	131.3770	0.264	2	131.0507	0.197	4	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.7245	0.308	2	131.0507	0.197	4	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	129.2075	0.363	2	129.2075	0.132	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]C[5,5])	132.2720	0.000	1	132.2720	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	128.6720	0.000	1	128.6720	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	127.8143	0.273	3	127.8143	0.074	3	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	O(C[5]C[5,6a]C[5,5])	127.8092	0.456	6	127.8092	0.208	6	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	125.8660	0.204	2	126.5366	0.226	18	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.3340	0.123	2	126.5366	0.226	18	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.6613	0.446	14	126.5366	0.226	18	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	129.1780	0.000	1	129.1780	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	131.0800	0.000	1	131.0800	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	129.7275	0.329	2	129.7275	0.108	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	127.8740	0.369	2	127.8740	0.136	2	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	131.4650	0.000	1	131.4650	0.000	1	127.5474	2.363	189	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	129.3815	0.203	2	129.3815	0.041	2	129.3815	0.041	2	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,6a]C[5,6])	125.7305	0.066	2	126.9217	0.897	6	126.9217	0.897	6	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	127.3285	0.125	2	126.9217	0.897	6	126.9217	0.897	6	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	127.7060	0.256	2	126.9217	0.897	6	126.9217	0.897	6	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.7190	0.000	1	126.7190	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.8333	0.870	4	126.8699	0.337	8	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.9065	0.160	4	126.8699	0.337	8	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6])	128.3700	0.000	1	128.3700	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	127.1620	0.000	1	126.6951	0.502	7	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.3140	0.000	1	126.6951	0.502	7	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]C[5,6])	126.8410	0.075	2	126.6951	0.502	7	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[5]C[5,6a]C[5,6])	127.0540	0.000	1	126.6951	0.502	7	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	125.2230	0.000	1	126.6951	0.502	7	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.4310	0.000	1	126.6951	0.502	7	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,6])	126.4680	0.000	1	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	127.2245	0.303	2	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	126.9820	0.000	1	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	126.9740	0.000	1	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	127.0112	0.436	6	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5,6])	126.2410	0.000	1	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	126.9480	0.147	2	126.9341	0.152	14	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5]C[5,6a]C[5,6])	124.9140	0.000	1	124.9140	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	126.6400	1.417	2	126.6400	2.008	2	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,6])	127.9410	0.000	1	127.9410	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.2242	0.971	6	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.6270	0.729	8	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	125.6151	0.518	8	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.1670	0.526	2	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	127.4240	0.339	2	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	125.4890	1.703	2	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.0895	0.781	2	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.3270	0.873	4	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.0364	0.460	12	126.1601	0.608	46	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	128.6370	0.198	2	128.5490	0.042	4	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6a]C[5,6])	128.4610	0.233	2	128.5490	0.042	4	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5,6])	127.2812	0.258	5	127.5489	0.174	10	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	O(C[5]C[5,6a]C[5,6])	127.7770	0.381	3	127.5489	0.174	10	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5,6])	127.8760	0.535	2	127.5489	0.174	10	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5,6])	130.4200	0.221	2	130.5757	0.057	4	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5,6])	130.7315	0.159	2	130.5757	0.057	4	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	128.5895	1.307	2	129.7665	0.578	13	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[5,6a]C[5,6])	130.0815	0.470	2	129.7665	0.578	13	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.2360	0.288	2	129.7665	0.578	13	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	130.1780	0.000	1	129.7665	0.578	13	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[5,6a]C[5,6])	129.4460	0.184	2	129.7665	0.578	13	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.0203	0.530	4	129.7665	0.578	13	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.7980	0.000	1	131.2951	0.174	22	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5,6])	131.4109	0.306	19	131.2951	0.174	22	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){2|Cl<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	130.4440	0.074	2	131.2951	0.174	22	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.8720	0.000	1	126.8720	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	129.7950	0.819	2	129.7950	0.670	2	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5,6])	131.4390	0.000	1	131.4390	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.0085	0.066	2	130.0085	0.004	2	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	130.2230	0.000	1	130.2230	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	O(C[5]C[5,6a]C[5,6])	130.8480	0.000	1	130.8480	0.000	1	127.9572	4.314	142	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	O(C[5]C[5,6a]C[5,6])	127.4885	0.453	2	127.4885	0.205	2	127.4885	0.205	2	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.1120	0.000	1	126.4773	0.190	3	126.4773	0.190	3	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.6600	0.423	2	126.4773	0.190	3	126.4773	0.190	3	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O){2|H<1>,6|C<3>}	O(C[5]C[5,6a]C[5])	127.9530	0.000	1	127.9530	0.000	1	127.9530	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5])	128.3230	0.000	1	128.8510	0.558	2	128.8510	0.558	2	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|O<2>}	O(C[5]C[5,6a]C[5])	129.3790	0.000	1	128.8510	0.558	2	128.8510	0.558	2	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.0130	0.000	1	127.0130	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.5323	0.145	3	126.3924	0.059	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.0310	0.000	1	126.3924	0.059	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.3340	0.000	1	126.3924	0.059	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.2360	0.000	1	127.2360	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.4350	0.000	1	127.5922	0.110	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.4415	0.220	2	127.5922	0.110	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.0510	0.000	1	127.5922	0.110	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.9650	0.000	1	129.1230	0.043	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	O(C[5]C[5,6a]C[5])	129.2020	0.219	2	129.1230	0.043	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.1055	0.851	2	127.0624	2.571	7	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.8280	0.000	1	127.0624	2.571	7	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6a]C[5])	127.0980	0.000	1	127.0624	2.571	7	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.0515	0.641	2	127.0624	2.571	7	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	130.1970	0.000	1	127.0624	2.571	7	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.9045	0.364	2	126.9996	0.456	13	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.6450	0.214	2	126.9996	0.456	13	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.0655	0.774	2	126.9996	0.456	13	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.5258	0.367	4	126.9996	0.456	13	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.4210	0.000	1	126.9996	0.456	13	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.1205	0.651	2	126.9996	0.456	13	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Br<1>,1|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	129.1240	0.000	1	129.1240	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[5]C[5,6a]C[5])	126.2730	0.000	1	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.3278	0.399	11	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.2190	0.000	1	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	130.9220	0.000	1	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.2760	0.000	1	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.2040	0.000	1	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.5380	0.000	1	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.6917	0.520	3	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.1383	0.390	6	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.1380	0.860	3	127.1847	1.439	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.5650	0.000	1	128.5650	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.6730	0.000	1	126.6730	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.6370	0.000	1	129.6370	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6a]C[5])	127.7420	0.000	1	127.3020	0.452	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6a]C[5])	127.5755	0.197	2	127.3020	0.452	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.3150	0.000	1	127.3020	0.452	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.0430	0.000	1	126.7788	0.311	16	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.3540	0.000	1	126.7788	0.311	16	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.3590	0.000	1	126.7788	0.311	16	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.7484	0.394	5	126.7788	0.311	16	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.8647	0.778	6	126.7788	0.311	16	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.3875	0.282	2	126.7788	0.311	16	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|B<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.4200	0.000	1	126.4200	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.3105	0.607	2	128.3105	0.369	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.7682	0.608	6	127.4094	0.743	14	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	127.3943	0.796	3	127.4094	0.743	14	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5])	128.8520	0.000	1	127.4094	0.743	14	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.5440	0.000	1	127.4094	0.743	14	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.0255	0.211	2	127.4094	0.743	14	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.4920	0.000	1	127.4094	0.743	14	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.0510	0.000	1	128.0202	0.648	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.7625	0.649	4	128.0202	0.648	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.1250	0.000	1	127.4130	0.166	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.7010	0.000	1	127.4130	0.166	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.2410	0.204	2	126.2410	0.041	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O){1|Fe<10>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	O(C[5]C[5,6a]C[5])	127.8470	0.533	2	127.8470	0.284	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.8870	0.000	1	128.8870	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|Cl<1>,1|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.2380	0.000	1	128.2380	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	127.1020	0.000	1	127.1020	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.4178	0.379	6	126.4178	0.144	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.4265	0.286	2	126.4265	0.082	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	128.4085	0.088	2	128.4085	0.008	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(C[5]C[5,6a]C[5])	126.6790	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.3812	0.332	4	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.3135	0.818	4	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.3530	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.7630	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.4270	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.5135	0.607	2	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.0920	0.246	2	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	O(C[5]C[5,6a]C[5])	125.2950	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	O(C[5]C[5,6a]C[5])	126.9290	0.718	4	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	125.9470	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.1040	0.000	1	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.2782	0.572	6	126.3773	0.326	29	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	O(C[5]C[5,6a]C[5])	127.8730	0.000	1	126.9057	1.453	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,6|H<1>}	O(C[5]C[5,6a]C[5])	126.7122	1.239	5	126.9057	1.453	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	126.6980	0.000	1	126.6980	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	127.8575	0.371	2	128.3900	0.663	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.5210	0.000	1	128.3900	0.663	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.3240	0.000	1	128.3900	0.663	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5])	126.7783	0.311	6	126.7783	0.097	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.0950	0.000	1	129.0950	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.4310	0.000	1	129.4310	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.0640	0.491	2	128.0640	0.241	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.6870	0.000	1	126.6870	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[5]C[5,6a]C[5])	128.1630	0.402	5	128.1630	0.162	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5])	128.0950	0.259	4	128.0950	0.067	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5])	130.3315	0.879	2	130.3315	0.773	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|S<2>,3|H<1>}	O(C[5]C[5,6a]C[5])	130.1790	0.734	2	129.3460	2.351	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|S<2>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.6800	0.000	1	129.3460	2.351	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.0937	0.583	3	127.0937	0.340	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	127.3498	0.630	8	127.3498	0.397	8	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	128.2860	0.000	1	128.5290	0.058	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.7670	0.000	1	128.5290	0.058	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.5340	0.000	1	128.5290	0.058	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	129.5010	0.000	1	129.3770	0.162	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.2780	0.000	1	129.3770	0.162	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.3645	0.680	2	129.3770	0.162	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	131.0630	0.000	1	129.4008	0.754	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.7995	0.135	2	129.4008	0.754	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.2477	0.312	3	129.4008	0.754	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]C[5])	129.8125	0.078	2	129.8125	0.006	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.0050	0.000	1	130.0050	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	126.0282	0.679	10	126.0282	0.461	10	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	128.7630	0.000	1	128.7630	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	129.1830	0.000	1	129.1830	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	126.3342	0.519	10	126.3342	0.269	10	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	125.9490	0.000	1	126.7075	1.151	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	127.4660	0.000	1	126.7075	1.151	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.9050	0.000	1	128.9050	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	126.3105	0.537	2	126.5520	0.326	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.7935	0.677	2	126.5520	0.326	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.2480	0.826	2	128.3550	0.375	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.5690	0.000	1	128.3550	0.375	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	130.0330	0.000	1	130.0330	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.0445	0.146	2	128.0445	0.021	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.5330	0.716	3	129.5330	0.512	3	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	129.5470	0.000	1	129.6530	0.155	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.3920	0.000	1	129.6530	0.155	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.4948	0.199	4	129.6530	0.155	6	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	129.7840	0.293	2	129.7840	0.086	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.1300	0.000	1	130.1300	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.0620	0.000	1	129.4055	0.236	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.7490	0.000	1	129.4055	0.236	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	128.6880	0.000	1	128.9760	0.167	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.8315	0.211	2	128.9760	0.167	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.5530	0.000	1	128.9760	0.167	4	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	129.3690	0.000	1	129.3690	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	131.1450	0.000	1	131.1450	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.5800	0.313	2	129.5800	0.098	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.8740	0.000	1	130.5304	0.293	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])	130.6945	0.460	4	130.5304	0.293	5	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	129.1010	0.000	1	129.1010	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6a]C[5])	129.7170	0.000	1	130.1376	0.480	10	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6a]C[5])	129.9090	0.000	1	130.1376	0.480	10	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.0732	0.192	5	130.1376	0.480	10	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])	130.4613	1.343	3	130.1376	0.480	10	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5])	129.3610	0.000	1	129.0705	0.169	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5])	128.7800	0.000	1	129.0705	0.169	2	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]C[5])	132.2920	0.000	1	132.2920	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[5]C[5,6a]C[5])	131.7100	0.000	1	131.7100	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	129.9970	0.000	1	129.9970	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5])	130.7730	0.000	1	130.7730	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])	128.6310	0.000	1	128.6310	0.000	1	127.7100	2.195	300	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|N<2>,1|S<2>,2|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	127.5140	0.000	1	127.5140	0.000	1	127.5140	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(O)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5,6a]C[5])	128.5230	0.000	1	128.5230	0.000	1	132.0070	2.943	7	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>}	O(C[5]C[5,6a]C[5])	131.5080	0.000	1	131.5080	0.000	1	132.0070	2.943	7	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[5]C[5,6a]C[5])	132.8036	0.724	5	132.8036	0.524	5	132.0070	2.943	7	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O){2|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	O(C[5]C[5,6a]C[5])	133.3360	0.000	1	133.3360	0.000	1	130.2530	3.915	12	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|O<2>,3|C<3>,5|H<1>}	O(C[5]C[5,6a]C[5])	127.1810	0.000	1	127.3897	0.401	3	130.2530	3.915	12	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){3|C<3>,6|H<1>}	O(C[5]C[5,6a]C[5])	127.4940	0.858	2	127.3897	0.401	3	130.2530	3.915	12	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O){1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|H<1>,4|C<3>,4|O<2>}	O(C[5]C[5,6a]C[5])	130.2305	0.340	2	130.2305	0.116	2	130.2530	3.915	12	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5])	130.7675	0.459	2	130.7675	0.211	2	130.2530	3.915	12	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])	131.3837	0.855	4	131.3837	0.732	4	130.2530	3.915	12	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	C[5,6a](C[6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|S<2>,4|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5])	126.9050	0.000	1	126.9050	0.000	1	126.9050	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:N[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]N[5])	121.6710	0.000	1	121.6710	0.000	1	121.6710	0.000	1	127.7640	2.887	726	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	125.8340	1.045	2	125.8875	0.539	6	126.4099	2.359	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	125.9142	0.729	4	125.8875	0.539	6	126.4099	2.359	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3,5])	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[3,5])	129.5440	0.000	1	129.5440	0.000	1	126.4099	2.359	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	O(C[5]C[3x5,6]C[5,6a])	C[5](C[3x5,6]C[3x5,6]C[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[3x5,6]C[5,6a])	127.4590	0.000	1	127.4590	0.000	1	127.5750	0.027	2	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	O(C[5]C[3x5,6]C[5,6a])	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[3x5,6]C[5,6a])	127.6910	0.000	1	127.6910	0.000	1	127.5750	0.027	2	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6a]C[3x5])	124.4697	0.516	3	124.4697	0.266	3	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[3x5])	127.3980	0.000	1	127.2370	0.101	4	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3x5])	127.1833	0.366	3	127.2370	0.101	4	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[3x5])	127.5013	0.168	3	127.4333	0.107	7	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3x5])	127.1250	0.543	2	127.4333	0.107	7	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[3x5])	127.6395	0.009	2	127.4333	0.107	7	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[3x5])	127.5690	0.000	1	127.0203	0.260	3	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[3x5])	126.7460	0.262	2	127.0203	0.260	3	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[3x5])	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[3x5])	129.9000	0.000	1	129.9000	0.000	1	126.9639	1.831	18	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[4,5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H)	O(C[5]C[4,5,5]C[5,6a])	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[4,5,5]C[5,6a])	126.0870	0.000	1	126.0870	0.000	1	126.0870	0.000	1	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[4,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[4,5])	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[4,5])	129.0460	0.000	1	128.6615	0.296	2	128.6615	0.296	2	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[4,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[4,5])	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[4,5])	128.2770	0.000	1	128.6615	0.296	2	128.6615	0.296	2	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	O(C[5]C[5,3x6]C[5,6a])	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,3x6]C[5,6a])	127.0710	0.173	4	126.6058	1.104	5	126.9488	1.590	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	O(C[5]C[5,3x6]C[5,6a])	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,3x6]C[5,6a])	124.7450	0.000	1	126.6058	1.104	5	126.9488	1.590	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	O(C[5]C[5,3x6]C[5,6a])	C[5](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[5]C[5,3x6]C[5,6a])	128.6640	0.000	1	128.6640	0.000	1	126.9488	1.590	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6,6]C[5,6a])	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,5,6,6]C[5,6a])	126.1360	0.000	1	126.1360	0.000	1	127.0800	0.724	3	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6,6]C[5,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,5,6,6]C[5,6a])	127.3170	0.000	1	127.3170	0.000	1	127.0800	0.724	3	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6,6]C[5,6a])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[5]C[5,5,6,6]C[5,6a])	127.7870	0.000	1	127.7870	0.000	1	127.0800	0.724	3	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6]C[5,6a])	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,5,6]C[5,6a])	125.9980	0.000	1	125.9980	0.000	1	128.4308	2.128	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6]C[5,6a])	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5,6]C[5,6a])	128.7020	0.735	3	128.7020	0.540	3	128.4308	2.128	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6]C[5,6a])	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5,6]C[5,6a])	128.2130	0.000	1	128.2130	0.000	1	128.4308	2.128	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,5,6]C[5,6a])	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5,6]C[5,6a])	130.2680	0.000	1	130.2680	0.000	1	128.4308	2.128	6	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	128.1500	0.000	1	128.1500	0.000	1	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	128.5880	0.000	1	127.5642	0.429	5	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.3963	0.394	3	127.5642	0.429	5	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.0440	0.000	1	127.5642	0.429	5	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.4145	0.046	2	127.2335	0.146	12	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.2977	0.483	6	127.2335	0.146	12	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.0468	0.265	4	127.2335	0.146	12	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.3184	0.316	10	127.4192	0.140	12	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.9230	0.191	2	127.4192	0.140	12	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	126.7514	0.388	5	126.7360	0.122	6	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	126.6590	0.000	1	126.7360	0.122	6	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.9410	0.000	1	127.1773	0.398	13	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.0531	0.605	11	127.1773	0.398	13	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.7800	0.000	1	127.1773	0.398	13	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.7790	0.000	1	127.7740	0.345	8	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	128.9210	0.000	1	127.7740	0.345	8	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	127.5820	0.420	6	127.7740	0.345	8	127.3284	0.318	57	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O){2|C<4>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5,5])	127.6080	0.000	1	127.6080	0.000	1	126.8310	1.207	2	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O){2|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5,5])	126.0540	0.000	1	126.0540	0.000	1	126.8310	1.207	2	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.0025	0.487	4	126.2674	0.401	8	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.5323	0.714	4	126.2674	0.401	8	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.3820	0.321	4	130.3820	0.103	4	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	126.3713	0.139	3	126.4998	0.040	6	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O(C[5]C[5,6a]C[5,5])	126.8310	0.000	1	126.4998	0.040	6	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	126.5270	0.000	2	126.4998	0.040	6	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|S<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.6460	0.151	2	126.8520	0.117	26	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.9190	0.378	16	126.8520	0.117	26	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.8203	0.259	6	126.8520	0.117	26	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.6170	0.400	2	126.8520	0.117	26	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.1920	0.000	1	130.0985	0.017	2	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	130.0050	0.000	1	130.0985	0.017	2	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.6055	0.323	2	126.1816	0.203	7	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[5,6a]C[5,5])	125.6210	0.045	2	126.1816	0.203	7	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.2727	0.225	3	126.1816	0.203	7	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.4070	0.000	1	128.4070	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.7690	0.625	10	126.7690	0.390	10	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	129.5315	0.554	2	129.5315	0.307	2	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.6780	0.513	10	126.6780	0.263	10	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	128.9210	0.000	1	128.9210	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	126.3030	0.000	1	126.3030	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	127.0395	0.021	2	127.0395	0.000	2	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	128.8600	0.000	1	128.8600	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	126.6330	0.000	1	126.6330	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	127.3900	0.000	1	127.6448	0.359	11	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,6a]C[5,5])	127.4860	1.029	3	127.6448	0.359	11	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|O<2>}	O(C[5]C[5,6a]C[5,5])	127.7493	0.458	7	127.6448	0.359	11	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	129.6950	0.000	1	130.0408	0.292	4	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<4>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	130.5780	0.000	1	130.0408	0.292	4	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	130.4190	0.000	1	130.0408	0.292	4	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	129.4710	0.000	1	130.0408	0.292	4	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.1300	0.637	7	128.1416	0.349	8	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,5])	128.2230	0.000	1	128.1416	0.349	8	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5,5])	129.5740	0.000	1	129.5740	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5])	129.4890	0.000	1	129.4890	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,5])	C[5](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,5])	128.4080	0.000	1	128.4080	0.000	1	127.3693	1.615	108	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5,6,6]C[5,6a])	127.8757	0.471	3	127.8757	0.221	3	127.8757	0.221	3	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5,6a])	123.3010	0.000	1	123.3010	0.000	1	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6,6]C[5,6a])	126.4174	0.244	5	126.5107	0.100	6	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6,6]C[5,6a])	126.9770	0.000	1	126.5107	0.100	6	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5,6a])	125.3636	0.454	10	125.3636	0.206	10	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5,6a])	126.2772	0.461	4	126.2772	0.213	4	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,6,6]C[5,6a])	126.6370	0.000	1	126.6370	0.000	1	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5,6a])	124.0370	0.000	1	124.0370	0.000	1	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6,6]C[5,6a])	C[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5,6,6]C[5,6a])	129.2340	0.000	2	129.2340	0.000	2	126.0101	1.724	25	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	127.1183	0.134	4	127.1183	0.018	4	127.6604	0.484	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6])	128.5080	0.000	1	128.5080	0.000	1	127.6604	0.484	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,6])	128.1180	0.000	1	128.1180	0.000	1	127.6604	0.484	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	O(C[5]C[5,6a]C[5,6])	128.5240	0.000	1	128.5240	0.000	1	127.6604	0.484	7	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	128.0900	0.000	1	128.0900	0.000	1	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	128.4445	0.681	2	128.4445	0.464	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	127.5275	0.308	2	127.8100	0.290	4	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	128.0925	0.675	2	127.8100	0.290	4	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	127.4320	0.528	2	126.7670	0.537	8	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	126.5453	0.679	6	126.7670	0.537	8	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[5]C[5,6a]C[5,6])	128.0715	0.077	2	128.0715	0.006	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]C[5,6])	126.3760	0.000	1	126.3760	0.000	1	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	130.6660	0.100	2	130.6660	0.010	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	126.6570	0.368	2	126.6570	0.135	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	127.9000	0.006	2	127.9000	0.000	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	127.0085	0.015	2	127.0085	0.000	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,6])	128.7020	0.000	1	128.7020	0.000	1	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	127.6285	0.506	2	127.6285	0.256	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5,6])	127.4890	0.000	1	127.4890	0.000	1	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,6])	128.7750	0.000	1	128.7690	0.000	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,6])	128.7630	0.000	1	128.7690	0.000	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	O(C[5]C[5,6a]C[5,6])	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6a]C[5,6])	129.8340	0.539	2	129.8340	0.290	2	127.8233	1.480	34	127.2706	1.522	281	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	5:3:1:	3:3:3:	3:	C[3x3,4,4x5,14x6]-5:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H)	O(C[5]C[3x3,4,4x5,14x6]C[5,6a])	C[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O){1|C<5>,2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	O(C[5]C[3x3,4,4x5,14x6]C[5,6a])	128.0510	0.000	1	128.0510	0.000	1	128.0510	0.000	1	128.0510	0.000	1	128.4206	3.900	4645	128.4855	4.028	4799
818	727	863	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	6:3:1:	3:3:3:	3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H)	O(C[5]C[5x3,6x5,20x6]C[5,6a])	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	O(C[5]C[5x3,6x5,20x6]C[5,6a])	127.5366	1.672	5	127.5366	2.795	5	127.5366	2.795	5	127.5366	2.795	5	128.4206	3.900	4645	128.4855	4.028	4799