643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4,6]	4:3:3:	3:3:2:	4:3:2:3:	Si[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:O[6]-2:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:2:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N[4]-3:N[4]-3:Ge-2:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4])	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4]){1|H<1>,1|O<2>,3|C<3>}	118.7280	0.890	2	118.7280	0.791	2	118.7280	0.791	2	118.7280	0.791	2	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2{1|O<2>,2|H<1>,3|C<3>}	123.9460	0.000	1	122.2900	5.485	2	120.8348	2.477	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	120.6340	0.000	1	122.2900	5.485	2	120.8348	2.477	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	120.0275	0.049	2	120.0275	0.002	2	120.8348	2.477	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	120.1870	0.721	2	120.1870	0.520	2	120.8348	2.477	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]C)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]C){1|H<1>,1|O<2>,3|C<3>}	119.2110	1.278	2	119.2110	1.634	2	119.1357	1.097	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]Cl)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]Cl){1|H<1>,1|O<2>,3|C<3>}	119.8555	0.583	2	119.8555	0.340	2	119.1357	1.097	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]H)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]H){1|H<1>,1|O<2>,3|C<3>}	118.3405	1.095	2	118.3405	1.200	2	119.1357	1.097	6	119.9853	2.412	12	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	3:4:3:	3:3:2:	3:4:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:Ge-4:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al2)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al2)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	118.4135	1.924	2	118.4135	3.702	2	118.4135	3.702	2	118.4135	3.702	2	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Si[4]	4:3:3:	3:3:2:	4:3:2:3:	Si[4]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	119.3625	3.552	17	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Si[4]	3:4:3:	3:3:3:	3:3:3:3:	C[6a,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]Si[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]Si)	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,8|C<3>}	C[6a,6a](C[6a]C[6a]Si[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]Si){4|H<1>,5|C<3>}	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	132.0840	0.000	1	132.0840	0.000	1	132.0840	0.000	1	132.0840	0.000	1	132.0840	0.000	1	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[3x4]	4:3:3:	3:3:1:	4:4:4:3:	Si[3x4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C[6a]-3:	C[6a](Si[3x4]Si[4,4]3)(C[6a]C[6a]H)2	C[6a](C[6a]Si[3x4]C[6a])(C[6a]C[6a]H)(H)	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2)	C[6a](Si[3x4]Si[4,4]3)(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,6|C<4>}	C[6a](C[6a]Si[3x4]C[6a])(C[6a]C[6a]H)(H){3|Si<4>,1|C<3>,2|H<1>}	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2){2|C<3>,2|H<1>}	121.1740	0.069	2	121.1740	0.005	2	121.1740	0.005	2	121.1740	0.005	2	121.1740	0.005	2	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4,4]	4:3:3:	3:3:4:	3:3:3:3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[3x4]-3:Ge[3x4]-3:C[6a]-3:C[6a]-3:	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Ge<3>,2|C<3>,2|C<4>}	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	121.2264	3.871	12	121.2264	14.985	12	121.2264	14.985	12	121.2545	14.309	24	121.2020	15.202	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4,4]	4:3:3:	3:3:4:	3:3:3:3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[3x4]-3:Si[3x4]-3:C[6a]-3:C[6a]-3:	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Si<3>,2|C<3>,2|C<4>}	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	121.2825	3.864	12	121.2825	14.932	12	121.2825	14.932	12	121.2545	14.309	24	121.2020	15.202	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4,4]	4:3:3:	3:3:4:	4:4:3:1:	Si[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	C[6a](Si[4,4]Si[4x4]2H)(C[6a]C[6a]C)2	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	C[6a](Si[4,4]Si[4x4]2H)(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	120.7245	3.241	4	120.7245	10.503	4	120.7245	10.503	4	120.7245	10.503	4	121.2020	15.202	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4,4]	4:3:3:	3:3:4:	4:4:3:3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[3x4]-4:Ge[3x4]-4:C[6a]-3:C[6a]-3:	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Ge<4>,2|C<3>,2|C<4>}	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	121.3168	4.710	6	121.3168	22.180	6	121.3168	22.180	6	121.2671	22.314	10	121.2020	15.202	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4,4]	4:3:3:	3:3:4:	4:4:3:3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:C[6a]-3:	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CCCH)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2{2|Si<3>,2|H<1>,5|C<3>}	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CCCH){2|Si<4>,2|C<3>,2|C<4>}	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2{1|B<3>,4|C<4>,8|C<3>}	121.1925	5.474	4	121.1925	29.964	4	121.1925	29.964	4	121.2671	22.314	10	121.2020	15.202	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4,6]	4:3:3:	3:3:1:	4:3:2:3:	Si[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4,6])(C[6a]C[6a]H)(H)	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	132.8810	0.000	1	132.8810	0.000	1	132.8810	0.000	1	132.8810	0.000	1	132.8810	0.000	1	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:2:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:Ge-2:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4])	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4]){1|H<1>,1|O<2>,3|C<3>}	123.9490	0.184	2	123.9490	0.034	2	123.9490	0.034	2	123.9490	0.034	2	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2{1|O<2>,2|H<1>,3|C<3>}	120.4220	0.000	1	121.8550	4.107	2	122.6923	1.386	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	123.2880	0.000	1	121.8550	4.107	2	122.6923	1.386	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	122.9560	0.752	2	122.9560	0.566	2	122.6923	1.386	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	123.2660	0.235	2	123.2660	0.055	2	122.6923	1.386	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]C)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]C){1|H<1>,1|O<2>,3|C<3>}	123.7140	1.701	2	123.7140	2.894	2	123.6388	1.274	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]Cl)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]Cl){1|H<1>,1|O<2>,3|C<3>}	122.7575	0.732	2	122.7575	0.536	2	123.6388	1.274	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]H)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]H){1|H<1>,1|O<2>,3|C<3>}	124.4450	0.274	2	124.4450	0.075	2	123.6388	1.274	6	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:3:3:3:	C[6a,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]Si[4])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	122.0932	16.281	13	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-4:N[4]-3:N[4]-3:	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al2)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Al2)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	123.5055	3.306	2	123.5055	10.928	2	123.5055	10.928	2	123.5055	10.928	2	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:1:	3:3:3:3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a](Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	121.0795	1.194	2	121.0795	1.426	2	121.0795	1.426	2	121.4258	0.810	6	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:1:	3:3:3:3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:C[6a]-3:	C[6a](Si[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](N[4]C[6a]Ge[4])2(C[6a]C[6a]2)2	C[6a](Si[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	Si[4](N[4]C[6a]Ge[4])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	121.5990	0.869	4	121.5990	0.755	4	121.5990	0.755	4	121.4258	0.810	6	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:1:	3:3:3:4:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:N[4]-3:C-4:	C[6a](Si[4]N[4]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]Si)(CC3)	C[6a](Si[4]N[4]2C)(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	Si[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]Si)(CC3){2|F<1>,2|H<1>,4|C<3>}	120.9500	5.436	2	120.9500	29.553	2	120.9500	29.553	2	120.9500	29.553	2	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:1:	3:3:4:4:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{4|C<3>,6|H<1>}	121.5420	1.216	4	121.5420	1.480	4	121.5420	1.480	4	121.5420	1.480	4	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:1:	4:3:2:3:	Si[4]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Si[4])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	128.1910	0.000	1	128.1910	0.000	1	128.1910	0.000	1	128.1910	0.000	1	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:1:	4:4:3:3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:Si[4]-4:C[6a]-3:C[6a]-3:	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H)	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(H){2|Si<4>,2|C<3>,2|H<1>}	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2{2|C<4>,4|C<3>,4|H<1>}	122.0820	10.622	2	122.0820	112.830	2	122.0820	112.830	2	122.0820	112.830	2	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:4:	3:3:3:2:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH)	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4])	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<4>,3|C<3>}	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4]){4|C<4>,6|C<3>}	120.9177	5.607	4	120.9177	31.443	4	120.9177	31.443	4	120.9177	31.443	4	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4]	4:3:3:	3:3:4:	3:4:3:3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH){3|C<3>,3|C<4>}	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	121.2730	4.996	2	121.2730	24.964	2	121.2730	24.964	2	121.2730	24.964	2	122.0346	14.535	38	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4x4]	4:3:3:	3:3:4:	4:3:3:3:	Si[4x4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CCCH)	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CCCH){1|Si<4>,2|Si<3>,1|C<3>,2|C<4>}	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	120.8383	1.292	4	120.8383	1.669	4	120.8383	1.669	4	120.8383	1.669	4	120.9530	2.715	12	121.3044	14.675	110
643	643	996	0:SP2_SP2_SP3	C[6a]	C[6a]	Si[4x4]	4:3:3:	3:3:4:	4:4:4:3:	Si[4x4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CH3)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2{2|Si<4>,3|H<1>,4|C<3>}	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CH3){3|Si<4>,1|C<3>,2|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	121.0104	1.882	8	121.0104	3.540	8	121.0104	3.540	8	121.0104	3.540	8	120.9530	2.715	12	121.3044	14.675	110
643	643	998	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	4:3:3:	3:3:1:	3:3:3:3:	N[5a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	119.3388	1.228	4	118.9306	0.658	20	118.9306	0.658	20	118.9306	0.658	20	118.9310	0.902	24	118.9310	0.902	24
643	643	998	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	4:3:3:	3:3:1:	3:3:3:3:	N[5a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	118.8286	0.691	16	118.9306	0.658	20	118.9306	0.658	20	118.9306	0.658	20	118.9310	0.902	24	118.9310	0.902	24
643	643	998	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	4:3:3:	3:3:4:	3:4:3:1:	N[5a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H){2|C<4>,9|C<3>}	118.6900	2.230	2	118.6900	4.974	2	118.6900	4.974	2	118.6900	4.974	2	118.9310	0.902	24	118.9310	0.902	24
643	643	998	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	4:3:3:	3:3:4:	4:3:3:1:	N[5a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H){4|C<3>,4|C<4>}	119.1760	1.739	2	119.1760	3.026	2	119.1760	3.026	2	119.1760	3.026	2	118.9310	0.902	24	118.9310	0.902	24
643	643	999	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[5,6]	3:4:3:	3:3:1:	3:4:4:4:	C[6,6a]-3:N[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|F<1>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	119.9600	10.220	5
643	643	999	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5]	4:3:3:	3:3:1:	4:3:3:1:	N[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<4>,2|C<3>,3|H<1>}	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	115.7600	0.000	1	115.7600	0.000	1	119.9585	35.255	2	119.9585	35.255	2	120.3360	12.684	4	119.9600	10.220	5
643	643	999	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5]	4:3:3:	3:3:1:	4:3:3:1:	N[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Se<4>,2|C<3>,3|H<1>}	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	124.1570	0.000	1	124.1570	0.000	1	119.9585	35.255	2	119.9585	35.255	2	120.3360	12.684	4	119.9600	10.220	5
643	643	999	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5]	4:3:3:	3:3:1:	4:3:4:4:	N[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	120.7135	1.493	2	120.7135	2.228	2	120.7135	2.228	2	120.7135	2.228	2	120.3360	12.684	4	119.9600	10.220	5
643	643	999	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[5,6]	3:4:3:	3:3:2:	3:4:4:4:	C[6,6a]-3:N[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|F<1>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1
643	654	727	0:SP2_SP2_SP3	C[6a]	B[3]	C[5,6a]	3:3:4:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B[3]-4:	B[3]-4:C[6a]-3:H[3]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H)	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H){1|H<1>,2|C<3>,8|C<4>}	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	122.9940	4.201	4	122.9940	17.647	4	122.9940	17.647	4	122.9940	17.647	4	122.6218	21.376	6	122.6218	21.376	6
643	654	727	0:SP2_SP2_SP3	C[6a]	B[3]	C[5,6a]	3:3:4:	5:3:2:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B[3]-4:	B[3]-5:C[6a]-3:H[3]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H)	B[3](B[3]C[6a]H[3]HH)(C[6a]C[5,6a]2)(H[3]B[3])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H){2|C<3>,2|H<1>,8|C<4>}	B[3](B[3]C[6a]H[3]HH)(C[6a]C[5,6a]2)(H[3]B[3])(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	121.8775	7.230	2	121.8775	52.275	2	121.8775	52.275	2	121.8775	52.275	2	122.6218	21.376	6	122.6218	21.376	6
643	658	727	6:SP2_SP2_SP3	C[6,6a]	Si[6]	C[5a,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5a,6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	Si[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	Si[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6]){2|C<4>,2|H<1>,5|C<3>}	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1
643	670	727	0:SP2_SP2_SP2	C[6a]	Ge	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge-3:	C[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]O)	Ge(C[6a]C[5,6a]2)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]O){1|C<3>,8|C<4>}	Ge(C[6a]C[5,6a]2)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.9742	2.303	4	120.9742	5.303	4	120.9742	5.303	4	120.9832	22.193	6	120.9832	22.193	6	120.9832	22.193	6
643	670	727	0:SP2_SP2_SP2	C[6a]	Ge	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge-3:	C[6a]-3:Ge-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(GeBrGe)	Ge(C[6a]C[5,6a]2)(GeC[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeBrGe){1|C<3>,8|C<4>}	Ge(C[6a]C[5,6a]2)(GeC[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.0010	9.750	2	121.0010	95.054	2	121.0010	95.054	2	120.9832	22.193	6	120.9832	22.193	6	120.9832	22.193	6
643	727	727	0:SP2_SP2_SP2	C[6,6a]	C[5a,6]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	126.9550	0.116	2	126.9550	0.013	2	126.9550	0.013	2	126.9550	0.013	2	126.9550	0.013	2	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[6a,6a]-3:C[5,6,6a]-3:	C[5,5,6]-4:C[6a,6a]-3:C[5,6,6a]-3:	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	130.4540	0.000	1	130.4540	0.000	1	130.4540	0.000	1	130.4540	0.000	1	130.4540	0.000	1	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a](C[5,6a]C[5,6a]N[5])2(C[6a,6a]C[5,6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]N[5])2(C[6a,6a]C[5,6a]2){2|N<2>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	121.8835	0.046	2	121.8835	0.002	2	121.8835	0.002	2	121.8835	0.002	2	121.8835	0.002	2	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,5|C<3>}	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	124.6800	0.440	8	124.5978	0.230	9	124.5978	0.230	9	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[3x6a]C[3x6a]2){8|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	123.9400	0.000	1	124.5978	0.230	9	124.5978	0.230	9	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2){2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a]){2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a]){2|S<2>,5|C<3>}	125.2712	0.755	12	125.2712	0.570	12	125.2712	0.570	12	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2){2|S<2>,6|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	124.2615	0.302	2	124.1873	0.038	4	124.8348	1.093	6	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[5a,6a]2){2|S<2>,6|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	124.1130	0.030	2	124.1873	0.038	4	124.8348	1.093	6	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	126.5300	0.000	1	126.1300	0.320	2	124.8348	1.093	6	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	125.7300	0.000	1	126.1300	0.320	2	124.8348	1.093	6	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]N[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|B<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]S[5a]){1|N<3>,1|S<2>,3|C<3>}	121.4570	0.173	2	121.4570	0.030	2	121.4570	0.030	2	124.7089	1.384	29	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	127.0580	0.000	1	127.0580	0.000	1	128.0915	0.976	6	127.6846	1.266	8	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a]){1|H<1>,7|C<3>}	128.6870	0.437	4	128.6870	0.191	4	128.0915	0.976	6	127.6846	1.266	8	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	126.7430	0.000	1	126.7430	0.000	1	128.0915	0.976	6	127.6846	1.266	8	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<2>,4|C<3>}	126.4640	0.109	2	126.4640	0.012	2	126.4640	0.012	2	127.6846	1.266	8	125.3523	2.865	37	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|N<2>,1|O<2>,5|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	126.8845	0.665	2	126.8845	0.443	2	126.8845	0.443	2	126.1787	9.543	10	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	126.1787	9.543	10	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|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>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	126.5863	0.775	4	126.5863	0.600	4	126.5863	0.600	4	126.1787	9.543	10	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|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>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	129.4400	0.017	2	129.4400	0.000	2	129.4400	0.000	2	126.1787	9.543	10	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]Pt)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Pt<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]Pt)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	126.1787	9.543	10	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.7710	0.000	1	121.7710	0.000	1	123.3650	1.979	3	123.3650	1.979	3	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	124.1620	0.382	2	124.1620	0.146	2	123.3650	1.979	3	123.3650	1.979	3	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5])	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5]){2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|H<1>}	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	121.0478	1.604	5	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a])	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a]){1|N<3>,6|C<3>}	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	120.4885	0.232	4	120.4885	0.054	4	120.4885	0.054	4	121.0478	1.604	5	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|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>}	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	125.5240	0.266	4	125.5240	0.071	4	125.5240	0.071	4	125.5240	0.071	4	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<4>,1|H<1>,3|C<3>}	125.2920	0.000	1	125.2920	0.000	1	125.2920	0.000	1	121.9320	22.579	2	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni)	C[5a](C[6a]C[5,6a]C[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a]){1|Ni<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	121.9320	22.579	2	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N){2|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	124.1413	10.052	25	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<2>,4|C<3>}	122.8890	0.000	1	122.8890	0.000	1	122.5290	0.080	4	122.9829	0.392	7	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	122.4745	0.204	2	122.4090	0.034	3	122.5290	0.080	4	122.9829	0.392	7	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	122.2780	0.000	1	122.4090	0.034	3	122.5290	0.080	4	122.9829	0.392	7	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a]){1|Br<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	123.6070	0.000	1	123.6070	0.000	1	123.5880	0.096	3	122.9829	0.392	7	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	123.5785	0.438	2	123.5785	0.192	2	123.5880	0.096	3	122.9829	0.392	7	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	125.4280	0.000	1	125.4280	0.000	1	129.0592	4.450	5	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	129.9670	0.663	4	129.9670	0.440	4	129.0592	4.450	5	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	123.7850	0.000	1	123.7850	0.000	1	123.8940	1.734	3	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	123.9485	1.858	2	123.9485	3.451	2	123.8940	1.734	3	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	121.2580	0.168	2	121.2580	0.028	2	121.2580	0.028	2	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5420	0.000	1	121.3930	0.044	2	121.3930	0.044	2	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	121.2440	0.000	1	121.3930	0.044	2	121.3930	0.044	2	125.1144	13.490	13	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	122.3823	0.935	3	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	122.3823	0.935	3	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	122.3823	0.935	3	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a]){1|S<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	121.1170	0.539	4	121.1170	0.290	4	121.1170	0.290	4	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a])	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.7315	1.504	2	122.7315	2.262	2	123.4423	0.748	12	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|H<1>,2|N<2>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	123.5844	0.727	10	123.5844	0.528	10	123.4423	0.748	12	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	120.8030	0.000	1	120.9775	0.061	2	120.9775	0.061	2	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.1520	0.000	1	120.9775	0.061	2	120.9775	0.061	2	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.6480	0.000	1	121.6480	0.000	1	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.5267	0.444	3	122.5267	0.197	3	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.8060	0.000	1	121.8060	0.000	1	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.1670	0.000	1	122.6884	0.579	8	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.2307	0.538	3	122.6884	0.579	8	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.3250	0.000	2	122.6884	0.579	8	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	122.4990	1.409	2	122.6884	0.579	8	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	122.3453	0.317	3	122.3453	0.101	3	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	121.2867	0.425	3	121.2867	0.181	3	122.2862	0.562	19	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,6|C<3>}	122.1834	2.165	13	122.1834	4.689	13	122.1834	4.689	13	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	124.6520	0.000	1	124.6520	0.000	1	124.6520	0.000	1	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<2>}	121.7373	0.360	4	121.7373	0.130	4	121.7373	0.130	4	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[6,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a])	C[5a](C[6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a]C[6,6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]S[5a]){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.5230	0.000	1	119.5230	0.000	1	119.5230	0.000	1	122.3335	2.097	56	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	121.0607	0.420	6	121.0789	0.149	7	120.9573	0.246	8	120.5716	3.430	11	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	121.1880	0.000	1	121.0789	0.149	7	120.9573	0.246	8	120.5716	3.430	11	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,1|N<2>,4|C<3>}	120.1060	0.000	1	120.1060	0.000	1	120.9573	0.246	8	120.5716	3.430	11	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[5a])(C[5a]C[5a]2){2|C<4>,2|N<2>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|N<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<2>,4|C<3>}	117.3755	0.115	2	117.3755	0.013	2	117.3755	0.013	2	120.5716	3.430	11	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	123.8790	0.000	1	123.8790	0.000	1	123.8790	0.000	1	120.5716	3.430	11	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	125.0705	1.497	2	125.0705	2.241	2	125.0705	2.241	2	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	123.2410	0.000	1	123.2410	0.000	1	123.2410	0.000	1	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.1730	0.000	1	120.1730	0.000	1	121.3015	2.547	2	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	122.4300	0.000	1	122.4300	0.000	1	121.3015	2.547	2	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	120.4140	1.038	2	120.4140	1.078	2	120.4140	1.078	2	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	124.2062	0.477	4	124.2062	0.228	4	124.2062	0.228	4	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	125.7390	0.666	2	125.7390	0.444	2	125.7390	0.444	2	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a]){1|C<4>,2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.6290	0.000	2	120.6290	0.000	2	120.6290	0.000	2	122.8646	5.042	17	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]Pd)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]Pd){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(C[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	122.3392	0.726	4	122.3392	0.527	4	122.3392	0.527	4	119.4126	4.923	16	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Ni)	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Ni){1|N<3>,6|C<3>}	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	116.8585	0.250	4	116.8585	0.062	4	118.6275	3.672	8	119.4126	4.923	16	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Pt)	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Pt<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]Pt){1|N<3>,6|C<3>}	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Pt)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.3965	0.401	4	120.3965	0.161	4	118.6275	3.672	8	119.4126	4.923	16	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni)	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a]Ni){1|N<3>,1|O<2>,5|C<3>}	C[5a](C[6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	118.0560	0.017	4	118.0560	0.000	4	118.0560	0.000	4	119.4126	4.923	16	122.2014	6.123	123	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	123.3950	1.072	2	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H)	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[5a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5]){4|H<1>,9|C<3>}	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	123.3950	1.072	2	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	122.7795	0.086	2	123.1662	0.263	4	123.0433	0.266	7	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	123.5530	0.429	2	123.1662	0.263	4	123.0433	0.266	7	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	123.2075	0.149	2	123.2075	0.022	2	123.0433	0.266	7	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	122.2230	0.000	1	122.2230	0.000	1	123.0433	0.266	7	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){2|N<2>,2|N<3>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|S<2>,3|C<3>}	122.3665	0.602	2	122.2403	0.486	4	122.2403	0.486	4	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]S[5a]){1|C<2>,1|S<2>,3|C<3>}	122.1140	1.015	2	122.2403	0.486	4	122.2403	0.486	4	122.8855	0.643	12	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]O[5a]){2|C<3>,3|N<3>}	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3430	0.197	3	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	119.3430	0.197	3	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	119.3430	0.197	3	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	122.4465	0.528	2	122.4465	0.279	2	122.4300	0.140	3	122.7117	0.411	4	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,5|C<3>}	122.3970	0.000	1	122.3970	0.000	1	122.4300	0.140	3	122.7117	0.411	4	122.3227	2.113	20	123.1061	7.399	213
643	727	727	0:SP2_SP2_SP2	C[6a]	C[5a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	122.7117	0.411	4	122.3227	2.113	20	123.1061	7.399	213
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	115.7710	0.434	2	115.7710	0.188	2	115.7710	0.188	2	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	114.8870	0.000	1	114.8870	0.000	1	116.0060	1.477	25	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.0526	1.218	24	116.0526	1.484	24	116.0060	1.477	25	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)2{9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	115.7455	0.343	2	115.7455	0.118	2	115.7455	0.118	2	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,1|N<3>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	116.5025	0.151	2	116.5025	0.023	2	116.3725	0.283	4	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	116.8580	0.000	1	116.8580	0.000	1	116.3725	0.283	4	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	115.6270	0.000	1	115.6270	0.000	1	116.3725	0.283	4	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6,6a]C[5,5,6])2(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	115.9395	0.076	2	115.9395	0.006	2	115.9395	0.006	2	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	115.9760	0.000	1	115.9760	0.000	1	116.6237	0.932	3	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.9475	1.111	2	116.9475	1.234	2	116.6237	0.932	3	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	116.3380	0.091	2	116.3380	0.008	2	116.3380	0.008	2	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6,6a]2)2(C[3x6a]C[5,6a,6a]2){4|C<4>,5|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[3x6a]C[5,6a,6a]C[3x6a]){2|Cl<1>,2|C<4>,6|C<3>}	117.1640	0.000	1	117.1640	0.000	1	117.1640	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	116.2220	0.000	1	116.2220	0.000	1	116.5020	0.076	6	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	116.5520	0.000	1	116.5520	0.000	1	116.5020	0.076	6	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	116.3280	0.255	2	116.3280	0.065	2	116.5020	0.076	6	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	116.7910	0.075	2	116.7910	0.006	2	116.5020	0.076	6	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,3x6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.5010	0.000	1	116.5010	0.000	1	116.5010	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	115.9849	1.129	20	115.9849	1.274	20	115.9849	1.274	20	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[5,6a,6a]C[3x6a]){1|O<2>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	115.5180	0.000	1	115.5180	0.000	1	115.5180	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	116.4120	0.000	1	116.4120	0.000	1	116.7109	0.271	8	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	116.7536	0.547	7	116.7536	0.300	7	116.7109	0.271	8	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[6,6a,6a]C[6,6a]2)	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[6,6a,6a]C[6,6a]2){2|Si<4>,7|C<3>}	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a,6a](C[3x6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Si[5]){1|H<1>,2|C<4>,6|C<3>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2{3|C<3>,6|S<2>}	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	116.2638	1.428	81	116.2638	1.428	81	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6,6a]2){9|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	115.7470	0.000	1	115.7470	0.000	1	115.7470	0.000	1	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])2(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	115.7175	0.069	2	115.7175	0.005	2	115.7175	0.005	2	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.4370	0.208	2	116.4370	0.043	2	116.1760	0.106	4	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	115.9150	0.038	2	115.9150	0.001	2	116.1760	0.106	4	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.2860	0.000	1	116.2860	0.000	1	116.8590	1.186	12	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.9111	1.126	11	116.9111	1.269	11	116.8590	1.186	12	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[3x6a]-3:C[5,6a]-3:C[5,6a]-3:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2	C[3x6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a,6a]C[5,6a]2)2{3|C<3>,6|S<2>}	C[5,6a,6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[6a]S[5])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2{2|H<1>,4|C<3>}	119.9555	0.252	2	119.9555	0.064	2	119.9555	0.064	2	116.7983	1.851	23	116.7983	1.851	23	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.4149	0.922	11	116.4149	0.850	11	116.4149	0.850	11	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	115.5930	0.000	1	115.5930	0.000	1	115.5930	0.000	1	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])2(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	115.8820	0.000	1	115.8820	0.000	1	116.0636	1.008	15	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	115.7250	0.000	1	115.7250	0.000	1	116.0636	1.008	15	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	116.1036	1.078	13	116.1036	1.162	13	116.0636	1.008	15	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){8|C<3>}	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	116.4260	0.000	1	116.4260	0.000	1	117.0490	0.776	2	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	117.6720	0.000	1	117.6720	0.000	1	117.0490	0.776	2	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	115.8670	0.000	1	116.1420	0.151	2	116.1420	0.151	2	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	116.4170	0.000	1	116.1420	0.151	2	116.1420	0.151	2	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	116.4317	0.187	4	116.4317	0.035	4	116.4317	0.035	4	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6,6a]2)(C[5,6a,6a]C[5,6,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6,6])(C[5a,6,6a]C[5a,6,6]C[6,6,6a])(C[3x6a]C[5,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	116.4540	0.000	1	116.4540	0.000	1	116.4540	0.000	1	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a]){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	116.6060	0.000	1	116.6060	0.000	1	116.6060	0.000	1	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.4520	0.000	1	116.4520	0.000	1	116.5683	1.428	23	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	116.5736	1.223	22	116.5736	1.495	22	116.5683	1.428	23	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	116.3180	0.000	1	116.3180	0.000	1	115.9338	0.409	5	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a,6a]C[5,6a,6a]2)(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5,6a,6a]C[3x6a]){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	115.8377	0.696	4	115.8377	0.484	4	115.9338	0.409	5	116.3768	0.949	68	116.3768	0.949	68	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.5766	1.233	11	116.5766	1.519	11	116.5766	1.519	11	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)2{9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.3650	0.365	2	116.5072	0.105	4	116.5072	0.105	4	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[3x6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.6495	0.319	2	116.5072	0.105	4	116.5072	0.105	4	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	117.2733	0.559	3	117.2733	0.312	3	117.2733	0.312	3	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[5a,6a,6a](C[5a,6,6a]C[5a,6,6a]C[6,6a,6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.7265	0.719	2	116.7265	0.517	2	116.7265	0.517	2	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	116.2615	0.657	147	116.2615	0.431	147	116.2615	0.431	147	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a,6a]C[5a,6a,6a]2){8|C<3>}	115.9840	0.223	3	115.9840	0.050	3	115.9840	0.050	3	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[3x6a]C[6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	117.1240	0.182	2	117.1240	0.033	2	117.1240	0.033	2	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	116.3398	0.599	10	116.3398	0.359	10	116.4427	0.311	13	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[3x6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]2)2(C[3x6a]C[5a,6a,6a]2){9|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){8|C<3>}	116.7857	0.152	3	116.7857	0.023	3	116.4427	0.311	13	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[3x6a]	C[5a,6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[6a,6a]C[6a]2)	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[6a,6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.3285	0.484	187	116.3285	0.484	187	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	116.4213	1.128	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2){4|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	115.1410	0.000	1	115.1410	0.000	1	115.1410	0.000	1	115.1410	0.000	1	116.4213	1.128	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	4:3:3:	3:3:4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a](C[6,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6,6a](C[6,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])2{2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	116.4213	1.128	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,5,6]-4:C[5,5,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	117.0973	0.517	4	116.4213	1.128	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	117.4480	0.000	1	117.4480	0.000	1	117.4480	0.000	1	117.0973	0.517	4	116.4213	1.128	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[5,6,6a]	3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	116.5230	0.362	2	116.5230	0.131	2	116.5230	0.131	2	117.0973	0.517	4	116.4213	1.128	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6,6a]	C[5a,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5a,6a,6a]-3:C[6,6,6a]-3:C[5a,6,6]-3:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6])	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6a,6a](C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	115.0925	0.484	2	115.0925	0.235	2	115.0925	0.235	2	115.0925	0.235	2	115.0838	0.288	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6,6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	115.0838	0.288	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6,6a]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){1|C<4>,7|C<3>}	115.0040	0.888	2	115.0040	0.789	2	115.0040	0.789	2	114.9063	0.423	3	115.0838	0.288	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6,6a]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	114.9063	0.423	3	115.0838	0.288	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)	C[6,6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl){3|Cl<1>,8|C<3>}	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.8034	0.510	5	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	114.7490	0.000	1	114.7490	0.000	1	114.7490	0.000	1	115.8034	0.510	5	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){3|Cl<1>,8|C<3>}	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	115.8034	0.510	5	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	115.8034	0.510	5	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	115.8034	0.510	5	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,9|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){8|C<3>}	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	115.7629	0.490	7	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5a,6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a])	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[6,6a,6a]C[5,6,6a]){8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a,6a]	C[5a,6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[5a,6a,6a]-3:	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[6,6a,6a]C[5a,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	115.4590	0.433	2	115.4590	0.187	2	115.4590	0.187	2	115.4590	0.187	2	115.4590	0.187	2	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H)	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	C[5a,6](C[6,6a]C[5,6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	C[5a,6](C[6,6a]C[5,6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|N<3>,2|C<3>,5|H<1>}	115.0600	0.257	3	115.0600	0.066	3	115.0600	0.066	3	115.0600	0.066	3	115.0600	0.066	3	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H){1|B<4>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	117.9800	0.000	1	117.9800	0.000	1	117.5033	0.192	3	117.5033	0.192	3	117.5033	0.192	3	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|C<4>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	117.4130	0.000	1	117.2650	0.044	2	117.5033	0.192	3	117.5033	0.192	3	117.5033	0.192	3	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	117.1170	0.000	1	117.2650	0.044	2	117.5033	0.192	3	117.5033	0.192	3	117.5033	0.192	3	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6,6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5,5,6]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	113.0985	0.326	4	113.0985	0.106	4	113.0985	0.106	4	113.0985	0.106	4	112.7848	0.557	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6,6a]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a]){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	112.1575	1.133	2	112.1575	1.285	2	112.1575	1.285	2	112.1575	1.285	2	112.7848	0.557	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	113.8130	0.000	1	112.8832	0.353	9	112.8832	0.353	9	112.1765	1.464	13	112.5481	1.135	22	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	112.7670	0.514	8	112.8832	0.353	9	112.8832	0.353	9	112.1765	1.464	13	112.5481	1.135	22	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	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)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,1|O<1>,7|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>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[6a,6a]C[5,6a]){8|C<3>}	110.5865	0.213	4	110.5865	0.045	4	110.5865	0.045	4	112.1765	1.464	13	112.5481	1.135	22	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	113.0849	0.484	9	113.0849	0.235	9	113.0849	0.235	9	113.0849	0.235	9	112.5481	1.135	22	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a]C[5,6a]2)2(C[6a,6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	C[6a,6a](C[5,6a]C[5,6a]2)2(C[6a,6a]C[6a]2){2|H<1>,2|S<4>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	127.0060	0.000	1	127.0060	0.000	1	127.0060	0.000	1	127.0060	0.000	1	127.0060	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[5,6a]C[6a]){2|H<1>,6|C<3>}	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	114.6343	0.696	3	114.6343	0.696	3	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){4|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	114.1530	0.049	2	114.1530	0.002	2	114.1530	0.002	2	114.6343	0.696	3	114.6343	0.696	3	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a])	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	114.6015	0.226	2	114.6015	0.051	2	114.6015	0.051	2	114.6015	0.051	2	114.6015	0.051	2	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	115.3760	0.000	1	115.3760	0.000	1	115.0025	0.186	4	115.0025	0.186	4	115.0025	0.186	4	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,5|C<3>}	114.3870	0.000	1	114.8780	0.186	3	115.0025	0.186	4	115.0025	0.186	4	115.0025	0.186	4	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	115.1235	0.105	2	114.8780	0.186	3	115.0025	0.186	4	115.0025	0.186	4	115.0025	0.186	4	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H){8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|H<1>,7|C<3>}	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	127.5000	0.000	1	127.5000	0.000	1	127.5000	0.000	1	127.5000	0.000	1	127.5000	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])2(C[6a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	111.4320	0.105	2	111.4320	0.011	2	111.4320	0.011	2	113.2937	3.228	6	113.2937	3.228	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H){3|O<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	113.2937	3.228	6	113.2937	3.228	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	114.6385	0.193	2	114.8900	0.208	3	114.8900	0.208	3	113.2937	3.228	6	113.2937	3.228	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a,6a]C[5a,6a]2){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){8|C<3>}	115.3930	0.000	1	114.8900	0.208	3	114.8900	0.208	3	113.2937	3.228	6	113.2937	3.228	6	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	117.2695	0.039	2	117.4944	0.519	16	117.4944	0.519	16	117.6665	0.713	18	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	118.0530	0.079	2	117.4944	0.519	16	117.4944	0.519	16	117.6665	0.713	18	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	117.6150	0.000	1	117.4944	0.519	16	117.4944	0.519	16	117.6665	0.713	18	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	117.0110	0.454	3	117.4944	0.519	16	117.4944	0.519	16	117.6665	0.713	18	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	117.5771	0.916	8	117.4944	0.519	16	117.4944	0.519	16	117.6665	0.713	18	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:I-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(I){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	119.0435	0.257	2	119.0435	0.066	2	119.0435	0.066	2	117.6665	0.713	18	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	115.1580	0.000	1	115.1580	0.000	1	115.1580	0.000	1	115.1580	0.000	1	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:I-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IC[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IC[6a]){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	120.5360	0.136	2	120.5360	0.018	2	120.5360	0.018	2	118.0439	1.704	11	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	117.4901	0.479	9	117.4901	0.230	9	117.4901	0.230	9	118.0439	1.704	11	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){2|Cl<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	116.2450	0.205	2	116.2450	0.042	2	116.2450	0.042	2	116.2450	0.042	2	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	116.0571	1.309	7	116.0571	1.713	7	116.0571	1.713	7	116.5960	3.791	8	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:I-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	120.3680	0.000	1	120.3680	0.000	1	120.3680	0.000	1	116.5960	3.791	8	117.4224	1.908	40	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])2(Cl){2|Ga<5>,1|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	118.9010	2.616	2	118.9010	6.845	2	119.9875	7.808	4	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){2|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|S<2>}	121.0740	3.444	2	121.0740	11.858	2	119.9875	7.808	4	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(Cl)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])2(Cl){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	119.9075	0.657	4	119.9075	0.431	4	119.9075	0.431	4	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:F-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(F)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])2(F){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	121.4656	0.524	8	121.4656	0.274	8	121.4656	0.274	8	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a,6a]S[5])2(H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5])	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a,6a]S[5])2(H){2|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	114.3310	0.147	2	114.3310	0.022	2	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	113.3985	0.629	2	113.3985	0.395	2	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	114.0140	0.000	1	114.0140	0.000	1	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	112.8860	0.000	1	113.4363	0.270	8	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	114.0580	0.006	2	113.4363	0.270	8	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	114.0210	0.000	1	113.4363	0.270	8	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	113.1167	0.146	4	113.4363	0.270	8	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.5133	0.757	3	112.5515	0.549	10	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	112.5679	0.795	7	112.5515	0.549	10	113.1512	0.688	23	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H){1|O<2>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	116.5450	0.000	1	116.5450	0.000	1	116.5450	0.000	1	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(H){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	118.7670	0.262	4	118.7670	0.069	4	118.7352	0.053	6	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	C[6a](C[5,6a]C[5,6a]S[5])2(H){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.6715	0.213	2	118.6715	0.045	2	118.7352	0.053	6	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(I){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	120.3455	0.170	2	120.6924	0.500	5	120.6924	0.500	5	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(I){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|S<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|S<2>,3|C<4>}	120.9237	0.886	3	120.6924	0.500	5	120.6924	0.500	5	117.0320	13.733	54	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H){1|Se<2>,1|Si<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|C<3>}	119.5240	0.127	2	119.5240	0.016	2	119.5240	0.016	2	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	115.0555	0.217	2	115.0555	0.047	2	115.0555	0.047	2	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H){1|Se<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	118.6340	0.378	2	118.6340	0.143	2	118.6340	0.143	2	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	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>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.6485	0.012	2	114.6485	0.000	2	115.2114	0.985	7	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	115.2255	0.202	2	115.2255	0.041	2	115.2114	0.985	7	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	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>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	113.8440	0.000	1	113.8440	0.000	1	115.2114	0.985	7	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	116.4440	0.574	2	116.4440	0.330	2	115.2114	0.985	7	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|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>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	116.8140	0.131	4	116.9115	0.053	6	116.9115	0.053	6	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|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>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	117.1065	0.315	2	116.9115	0.053	6	116.9115	0.053	6	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|C<3>}	117.2465	1.428	2	117.2465	2.038	2	117.9856	1.146	5	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S){1|Se<2>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	119.0650	0.000	1	119.0650	0.000	1	117.9856	1.146	5	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){2|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se){1|Se<2>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	118.1850	0.457	2	118.1850	0.209	2	117.9856	1.146	5	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	114.7662	1.260	4	114.7662	1.587	4	114.1214	3.269	5	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	111.5420	0.000	1	111.5420	0.000	1	114.1214	3.269	5	116.3762	3.826	29	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	117.9830	0.000	1	117.9830	0.000	1	118.0560	0.012	4	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	117.9390	0.000	1	117.9390	0.000	1	118.0560	0.012	4	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	118.1510	0.000	2	118.1510	0.000	2	118.0560	0.012	4	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]2)2(H){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	117.4720	0.267	2	117.4720	0.071	2	117.4720	0.071	2	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|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>}	118.3340	0.338	2	118.3340	0.114	2	118.1413	0.168	3	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	117.7560	0.000	1	117.7560	0.000	1	118.1413	0.168	3	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,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]C){1|H<1>,4|C<3>}	117.8325	0.155	2	117.3780	0.211	6	117.6515	0.475	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|C<4>,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]C){1|H<1>,4|C<3>}	117.1508	0.371	4	117.3780	0.211	6	117.6515	0.475	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,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>}	117.3990	0.000	1	117.5217	0.146	3	117.6515	0.475	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|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>}	117.5830	0.519	2	117.5217	0.146	3	117.6515	0.475	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|P<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,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]P){1|H<1>,4|C<3>}	118.6665	0.916	2	118.6665	0.839	2	117.6515	0.475	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	118.4820	0.000	1	118.5805	0.019	2	118.4005	0.096	4	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	118.6790	0.000	1	118.5805	0.019	2	118.4005	0.096	4	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	118.2205	0.374	2	118.2205	0.140	2	118.4005	0.096	4	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|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>}	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>}	114.3820	0.351	13	114.4654	0.142	16	114.5576	0.832	21	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|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>}	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>}	114.6685	0.142	2	114.4654	0.142	16	114.5576	0.832	21	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|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>}	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>}	115.1430	0.000	1	114.4654	0.142	16	114.5576	0.832	21	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|O<1>,2|O<2>,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|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>}	114.0323	0.398	4	114.0323	0.159	4	114.5576	0.832	21	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|O<1>,2|S<2>,3|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>}	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>}	118.1350	0.000	1	118.1350	0.000	1	114.5576	0.832	21	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	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>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	113.7455	0.267	4	113.7455	0.071	4	114.4615	1.277	6	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	115.8935	0.135	2	115.8935	0.018	2	114.4615	1.277	6	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.7533	0.748	6	113.1141	0.872	8	114.3715	8.361	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	114.1965	0.425	2	113.1141	0.872	8	114.3715	8.361	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	113.1710	0.000	1	113.1710	0.000	1	114.3715	8.361	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|Ge<2>,1|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.0010	0.205	2	120.0010	0.042	2	114.3715	8.361	11	115.8485	4.713	63	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H){1|Si<4>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO){1|Si<4>,1|H<1>,3|C<3>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	118.1537	1.863	3	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	117.6850	0.000	1	117.6850	0.000	1	117.6850	0.000	1	118.1537	1.863	3	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	118.1537	1.863	3	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	117.8995	0.164	6	117.8995	0.027	6	117.8995	0.027	6	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	117.5147	0.344	4	117.8240	0.201	8	117.7786	0.196	11	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	118.4640	0.000	1	117.8240	0.201	8	117.7786	0.196	11	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	118.0230	0.268	3	117.8240	0.201	8	117.7786	0.196	11	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	117.5080	0.597	2	117.6577	0.245	3	117.7786	0.196	11	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	117.9570	0.000	1	117.6577	0.245	3	117.7786	0.196	11	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H){1|P<4>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H){1|P<4>,1|S<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	118.2900	0.023	2	118.2900	0.001	2	118.2900	0.001	2	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	120.5520	0.000	1	120.5520	0.000	1	120.6128	0.008	4	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	120.6600	0.000	1	120.6600	0.000	1	120.6128	0.008	4	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	120.6195	0.136	2	120.6195	0.019	2	120.6128	0.008	4	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|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>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	115.7470	0.000	1	115.7470	0.000	1	115.2245	0.546	2	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	114.7020	0.000	1	114.7020	0.000	1	115.2245	0.546	2	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	117.4325	0.104	2	117.4325	0.011	2	117.4325	0.011	2	118.1481	1.842	30	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	113.1040	0.000	1	114.5873	1.653	3	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.3290	0.078	2	114.5873	1.653	3	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.5500	0.000	1	115.5500	0.000	1	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.5780	0.076	2	115.5780	0.006	2	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.1425	0.243	2	115.1425	0.059	2	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.5500	0.000	1	115.0310	0.539	2	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	114.5120	0.000	1	115.0310	0.539	2	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.3250	0.000	1	115.3250	0.000	1	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.4435	0.105	2	115.4830	0.010	3	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.5620	0.000	1	115.4830	0.010	3	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	114.9090	0.224	4	114.9090	0.050	4	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	116.7060	0.000	1	116.6870	0.001	2	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	116.6680	0.000	1	116.6870	0.001	2	115.2800	0.556	20	115.2800	0.556	20	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(Br){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	118.2010	0.000	1	118.2010	0.000	1	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Al<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Al<4>,1|C<3>,2|H<1>,3|C<4>}	118.6030	0.040	2	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	118.7623	0.177	3	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	118.7017	1.030	3	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	119.0414	0.334	7	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	118.8130	0.000	1	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.5925	0.309	4	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	118.1360	0.000	1	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	118.8040	0.000	1	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	119.4670	0.000	1	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	118.9515	0.103	2	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	119.0297	0.062	3	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	118.9891	0.394	12	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	119.6400	0.000	1	118.9019	0.184	41	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.5270	0.000	1	118.5270	0.000	1	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,3|H<1>}	118.3430	0.475	2	118.3430	0.226	2	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	118.4910	0.000	1	118.4910	0.000	1	118.8453	0.197	46	118.8926	0.298	47	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	115.1102	0.084	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.1900	0.000	1	115.1900	0.000	1	115.2283	0.019	4	115.1102	0.084	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.4340	0.000	1	115.4340	0.000	1	115.2283	0.019	4	115.1102	0.084	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H){2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.1490	0.000	1	115.1490	0.000	1	115.2283	0.019	4	115.1102	0.084	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.1400	0.000	1	115.1400	0.000	1	115.2283	0.019	4	115.1102	0.084	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	117.5586	0.555	5	117.5586	0.308	5	117.5586	0.308	5	117.4307	0.344	6	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|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>}	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	117.4307	0.344	6	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	115.1700	0.945	7	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	114.9905	0.131	2	114.9905	0.017	2	114.8864	0.975	5	115.1700	0.945	7	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.6155	0.141	2	115.6155	0.020	2	114.8864	0.975	5	115.1700	0.945	7	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	113.2200	0.000	1	113.2200	0.000	1	114.8864	0.975	5	115.1700	0.945	7	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	115.1700	0.945	7	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	117.8507	0.403	14	117.8507	0.163	14	117.8507	0.163	14	117.8507	0.163	14	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])2(Br)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	C[6a](C[5,6a]C[5,6a]C[5,5])2(Br){4|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	117.9410	1.166	11	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	118.0700	0.000	1	118.3350	0.763	5	118.3350	0.763	5	117.9410	1.166	11	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	118.4013	0.994	4	118.3350	0.763	5	118.3350	0.763	5	117.9410	1.166	11	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])2(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])2(H){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.1900	0.035	2	117.0393	0.069	3	117.0393	0.069	3	117.9410	1.166	11	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])2(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])2(H){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	116.7380	0.000	1	117.0393	0.069	3	117.0393	0.069	3	117.9410	1.166	11	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])2(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])2(H){9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	117.2900	0.506	2	117.2900	0.256	2	117.2900	0.256	2	117.9410	1.166	11	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])2(OH){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(CC){2|N<3>,2|O<1>,3|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>}	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>}	113.4285	0.363	2	113.4285	0.132	2	113.4285	0.132	2	113.4285	0.132	2	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC){1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO){1|H<1>,1|O<2>,3|C<3>}	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O){1|O<2>,1|S<2>,3|C<3>}	118.3890	0.945	2	118.3890	0.892	2	118.3890	0.892	2	118.3890	0.892	2	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OC){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	119.5400	0.000	1	119.5400	0.000	1	120.0432	0.171	6	119.5355	1.212	8	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	120.5500	0.000	1	120.0360	0.217	3	120.0432	0.171	6	119.5355	1.212	8	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	119.7790	0.197	2	120.0360	0.217	3	120.0432	0.171	6	119.5355	1.212	8	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(OTi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OTi){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.3055	0.175	2	120.3055	0.031	2	120.0432	0.171	6	119.5355	1.212	8	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(PSi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(PSi){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	119.5355	1.212	8	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SS){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	119.5355	1.212	8	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])2(CC){4|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	118.0660	0.000	1	118.0660	0.000	1	118.0660	0.000	1	118.0660	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	117.6600	0.000	1	117.6600	0.000	1	118.1720	0.524	2	118.1720	0.524	2	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(COO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(COO){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	118.6840	0.000	1	118.6840	0.000	1	118.1720	0.524	2	118.1720	0.524	2	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2){1|Se<2>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|B<3>,1|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|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>}	114.7375	0.331	6	114.7375	0.110	6	114.7375	0.110	6	115.2199	2.666	10	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	117.8875	0.299	2	117.8875	0.089	2	117.8875	0.089	2	115.2199	2.666	10	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	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>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	115.2199	2.666	10	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O){1|H<1>,1|O<1>,5|C<3>}	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>}	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	115.2199	2.666	10	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(BC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(BC[6a]H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	116.3500	0.175	2	116.3500	0.031	2	116.6380	0.264	3	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(BFF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(BFF){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.2140	0.000	1	117.2140	0.000	1	116.6380	0.264	3	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	117.6950	0.457	5	117.6950	0.209	5	117.6950	0.209	5	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(GeBrGe)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeBrGe){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.9970	0.000	1	117.9970	0.000	1	117.9197	0.024	3	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]O){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.8810	0.198	2	117.8810	0.039	2	117.9197	0.024	3	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(OLi2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(OLi2){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(PIrC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(PIrC){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]P){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	116.8140	0.000	1	116.8140	0.000	1	116.7260	0.346	12	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]Si){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.3460	0.000	1	117.3460	0.000	1	116.7260	0.346	12	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SiHW)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiHW){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	115.5730	0.000	2	115.5730	0.000	2	116.7260	0.346	12	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SiNW)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiNW){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.2460	0.000	2	117.2460	0.000	2	116.7260	0.346	12	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SiOW)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiOW){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	116.8190	0.181	6	116.8190	0.033	6	116.7260	0.346	12	117.0638	0.758	26	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	116.2316	7.812	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	117.8040	2.203	3	117.8040	4.855	3	117.1273	5.068	4	116.2316	7.812	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CH3){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	115.0970	0.000	1	115.0970	0.000	1	117.1273	5.068	4	116.2316	7.812	5	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C){2|C<4>,5|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>}	114.3765	0.019	2	114.3765	0.000	2	114.3765	0.000	2	114.3765	0.000	2	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	C[6a](C[5,6a]C[5,6a]C[5])2(CH3){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B[3]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H){1|H<1>,2|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	113.9045	0.142	2	114.6840	1.833	3	114.6840	1.833	3	116.0462	1.967	9	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B[3]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]H){2|C<3>,2|H<1>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	116.2430	0.000	1	114.6840	1.833	3	114.6840	1.833	3	116.0462	1.967	9	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	117.0840	0.147	2	117.0840	0.022	2	117.0840	0.022	2	116.0462	1.967	9	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge[4]-4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(Ge[4]C[6a]O[4]2)	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(Ge[4]C[6a]O[4]2){4|C<3>,8|C<4>}	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	116.0462	1.967	9	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a](C[5,6a]C[5,6a]S[5])2(SO3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])2(SO3){1|C<3>,2|O<2>,2|S<4>,4|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	115.6945	0.069	2	115.6945	0.005	2	115.6945	0.005	2	116.0462	1.967	9	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]HH){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	116.9610	0.000	1	116.9610	0.000	1	116.9610	0.000	1	116.0462	1.967	9	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	3:3:5:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B[3]-5:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]HH){1|H<1>,2|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5,6a]	5:3:3:	3:3:4:	3:3:4:	B[3,3]-5:C[5,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a](B[3,3]B[3,3]H[3]2H)(C[5,6a]C[5,6a]C[5])2	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[6a](B[3,3]B[3,3]H[3]2H)(C[5,6a]C[5,6a]C[5])2{1|H<1>,2|C<3>,8|C<4>}	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	116.3607	0.314	6	116.3607	0.099	6	116.3607	0.099	6	116.3607	0.099	6	116.9438	5.225	370	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	116.7920	0.240	4	116.7920	0.057	4	116.7920	0.057	4	116.5373	2.406	10	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	117.6760	0.065	2	117.6760	0.004	2	117.6760	0.004	2	116.5373	2.406	10	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|N<3>,3|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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	113.1210	0.000	1	113.1210	0.000	1	114.7107	1.923	3	116.5373	2.406	10	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	115.3390	0.000	1	115.3390	0.000	1	114.7107	1.923	3	116.5373	2.406	10	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	115.6720	0.000	1	115.6720	0.000	1	114.7107	1.923	3	116.5373	2.406	10	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	116.5373	2.406	10	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	117.7425	0.260	2	117.7425	0.067	2	118.2243	0.730	3	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	119.1880	0.000	1	119.1880	0.000	1	118.2243	0.730	3	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	118.0635	0.267	4	118.0635	0.071	4	118.0635	0.071	4	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.9505	0.112	2	113.9505	0.013	2	113.9505	0.013	2	117.3982	2.754	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,2|N<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	115.4990	0.000	1	115.4990	0.000	1	115.8390	0.231	2	115.8390	0.231	2	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	116.1790	0.000	1	116.1790	0.000	1	115.8390	0.231	2	115.8390	0.231	2	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	3:4:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	116.3418	0.316	4	116.3418	0.100	4	116.3418	0.100	4	116.3418	0.100	4	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	4:3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.5665	0.159	2	115.5665	0.025	2	115.5665	0.025	2	115.7107	0.075	3	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:1:	4:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.7107	0.075	3	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:2:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	118.8280	0.226	2	118.8280	0.051	2	118.8280	0.051	2	118.8280	0.051	2	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[5a])(N[5a]S[5a]){1|S<2>,4|C<3>}	113.3475	0.382	4	113.3475	0.146	4	113.3475	0.146	4	114.1750	1.734	6	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){7|C<3>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	114.1750	1.734	6	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){7|C<3>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	114.1750	1.734	6	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a]){9|C<3>}	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){2|C<4>,4|C<3>}	115.9310	0.000	1	115.9310	0.000	1	115.6170	0.197	2	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	115.3030	0.000	1	115.3030	0.000	1	115.6170	0.197	2	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,2|N<2>,5|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]C){6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	115.6050	0.000	1	115.6050	0.000	1	114.8686	0.319	5	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|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>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	114.6845	0.446	4	114.6845	0.199	4	114.8686	0.319	5	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]){1|C<2>,1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,4|C<3>}	117.2220	0.000	1	117.2220	0.000	1	113.9513	8.023	3	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	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>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){4|C<3>}	112.3160	0.000	2	112.3160	0.000	2	113.9513	8.023	3	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C){2|H<1>,4|C<3>}	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	115.0877	3.501	13	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]C){1|C<4>,4|C<3>}	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	113.8500	1.952	2	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|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>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	113.8500	1.952	2	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[5a,6a]	3:3:4:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a]){2|C<4>,3|C<3>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	115.9965	3.614	57	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a])	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H){2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a]){1|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	117.8540	0.083	2	117.8540	0.007	2	117.8540	0.007	2	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	113.2970	0.000	1	113.2970	0.000	1	114.8697	1.857	3	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	115.6560	0.058	2	115.6560	0.003	2	114.8697	1.857	3	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	117.0084	0.304	8	117.0084	0.092	8	117.0084	0.092	8	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	113.5760	0.000	1	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	113.1320	0.000	1	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	112.8140	0.000	1	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	113.0230	0.000	1	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	112.8130	0.000	1	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	112.8443	0.191	6	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	113.2590	0.000	1	112.9736	0.073	12	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	112.6650	0.000	1	112.6650	0.000	1	112.9498	0.074	13	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	115.0970	0.061	2	115.0970	0.004	2	115.0970	0.004	2	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|S<2>}	116.4813	0.429	3	116.4813	0.184	3	116.4813	0.184	3	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(O){1|C<3>,4|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	115.1400	0.000	1	115.1400	0.000	1	115.1400	0.000	1	115.3562	5.776	34	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|Co<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	116.2480	0.075	2	116.2480	0.006	2	116.2480	0.006	2	116.2480	0.006	2	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH){1|N<2>,1|O<1>,2|C<3>}	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	116.5370	0.000	1	116.5370	0.000	1	115.5597	0.385	6	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.7120	0.000	1	114.9380	0.102	2	115.5597	0.385	6	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	115.1640	0.000	1	114.9380	0.102	2	115.5597	0.385	6	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	115.4370	0.000	1	115.4370	0.000	1	115.5597	0.385	6	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	115.7540	0.052	2	115.7540	0.003	2	115.5597	0.385	6	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	115.5110	0.000	1	115.5110	0.000	1	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.9520	0.000	1	114.6875	0.140	2	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.4230	0.000	1	114.6875	0.140	2	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	114.7500	0.000	1	114.7500	0.000	1	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.8780	0.000	1	114.4985	0.083	8	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.4763	0.272	6	114.4985	0.083	8	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	114.2520	0.000	1	114.4985	0.083	8	114.6353	0.150	12	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	113.8630	0.000	1	113.8630	0.000	1	112.3325	4.685	2	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	110.8020	0.000	1	110.8020	0.000	1	112.3325	4.685	2	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.6340	0.150	2	116.6340	0.022	2	116.6340	0.022	2	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	115.3200	0.000	1	115.3200	0.000	1	114.6415	0.921	2	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	113.9630	0.000	1	113.9630	0.000	1	114.6415	0.921	2	114.8161	1.346	25	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	118.2600	0.000	1	118.2600	0.000	1	118.0560	0.058	4	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	117.9880	0.243	3	117.9880	0.059	3	118.0560	0.058	4	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	117.8070	0.100	2	117.8070	0.010	2	118.4325	0.531	4	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	119.0580	0.136	2	119.0580	0.018	2	118.4325	0.531	4	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|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>}	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	117.0350	0.000	1	117.0350	0.000	1	118.1070	0.909	3	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	118.6430	0.307	2	118.6430	0.094	2	118.1070	0.909	3	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,6|C<3>}	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,4|C<3>}	118.3750	0.000	2	118.3750	0.000	2	118.2212	0.042	4	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	118.0675	0.176	2	118.0675	0.031	2	118.2212	0.042	4	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	118.1250	0.000	1	118.1250	0.000	1	118.3770	0.127	2	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	118.6290	0.000	1	118.6290	0.000	1	118.3770	0.127	2	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N){1|H<1>,1|S<2>,3|C<3>}	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	116.7210	0.000	1	116.7210	0.000	1	116.7210	0.000	1	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.7870	0.412	4	113.3556	0.612	8	113.3556	0.612	8	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.5240	0.000	1	113.3556	0.612	8	113.3556	0.612	8	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.7243	0.595	3	113.3556	0.612	8	113.3556	0.612	8	116.8284	4.836	32	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	119.3465	0.206	2	119.3465	0.042	2	119.3465	0.042	2	119.3465	0.042	2	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,7|C<3>}	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN){1|N<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5]){1|C<2>,1|N<2>,2|C<3>}	118.4330	0.049	2	118.4330	0.002	2	118.4330	0.002	2	118.4330	0.002	2	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	120.2900	0.000	1	120.2900	0.000	1	120.2900	0.000	1	120.2900	0.000	1	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]){1|S<2>,8|C<3>}	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	116.2007	4.925	3	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	116.2007	4.925	3	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]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)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O){1|H<1>,5|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>}	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	116.2007	4.925	3	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[5,6a]-3:S[5]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|O<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|S<4>,4|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO){4|C<3>,4|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]C[5]C){2|C<4>,3|C<3>}	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	115.8915	4.941	105	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	115.2080	0.000	1	115.2080	0.000	1	115.2080	0.000	1	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	112.3000	0.000	1	112.5930	0.136	3	112.5930	0.136	3	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.0080	0.000	1	112.5930	0.136	3	112.5930	0.136	3	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	112.4710	0.000	1	112.5930	0.136	3	112.5930	0.136	3	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	112.0740	0.000	1	112.0740	0.000	1	112.7167	0.096	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	113.0380	0.000	1	112.8238	0.018	6	112.7167	0.096	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	112.6200	0.000	1	112.8238	0.018	6	112.7167	0.096	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Fe<8>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Fe<8>,1|C<3>,1|H<1>,1|O<2>}	112.8347	0.031	3	112.8238	0.018	6	112.7167	0.096	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,2|C<3>}	112.7810	0.000	1	112.8238	0.018	6	112.7167	0.096	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	116.7737	0.447	3	116.7641	0.187	7	116.7641	0.187	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	117.0750	0.000	1	116.7641	0.187	7	116.7641	0.187	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	116.6510	0.542	3	116.7641	0.187	7	116.7641	0.187	7	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	117.1955	0.463	2	117.1955	0.215	2	116.4006	1.655	8	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	116.1515	0.401	4	116.1515	0.161	4	116.4006	1.655	8	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	113.9590	0.000	1	113.9590	0.000	1	116.4006	1.655	8	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){1|C<3>,2|B<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	118.2490	0.000	1	118.2490	0.000	1	116.4006	1.655	8	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	111.2520	0.000	1	111.2520	0.000	1	112.4150	2.705	2	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(O){1|C<3>,4|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	113.5780	0.000	1	113.5780	0.000	1	112.4150	2.705	2	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	112.3220	0.000	1	112.3220	0.000	1	112.5980	0.152	2	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	112.8740	0.000	1	112.8740	0.000	1	112.5980	0.152	2	114.7101	4.335	32	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|Ru<6>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru){1|H<1>,1|N<2>,2|C<3>}	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1	116.0043	0.302	3	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|S<2>,4|C<3>}	116.3215	0.002	2	116.3215	0.000	2	116.3215	0.000	2	116.0043	0.302	3	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	122.1040	0.000	1	121.2997	0.506	3	121.2997	0.506	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(F){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	120.8975	0.206	2	121.2997	0.506	3	121.2997	0.506	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|H<1>,2|C<3>,2|S<2>}	116.8130	0.000	1	116.8130	0.000	1	117.5645	1.130	2	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Si<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	118.3160	0.000	1	118.3160	0.000	1	117.5645	1.130	2	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	118.2552	0.392	6	118.2552	0.153	6	118.2821	0.133	7	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.4440	0.000	1	118.4440	0.000	1	118.2821	0.133	7	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.9420	0.000	1	117.9420	0.000	1	118.0940	0.136	4	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|H<1>,2|C<3>,2|S<2>}	118.2480	0.559	2	118.1447	0.188	3	118.0940	0.136	4	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.9380	0.000	1	118.1447	0.188	3	118.0940	0.136	4	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	115.5105	0.175	2	115.5105	0.031	2	115.2377	0.239	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	114.6920	0.000	1	114.6920	0.000	1	115.2377	0.239	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.4160	1.119	2	116.4160	1.251	2	118.4244	2.092	8	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.5315	0.131	4	119.0938	0.527	6	118.4244	2.092	8	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.2185	0.532	2	119.0938	0.527	6	118.4244	2.092	8	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	115.1775	0.359	2	114.7783	0.261	11	114.7783	0.261	11	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	115.1913	0.082	3	114.7783	0.261	11	114.7783	0.261	11	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	115.0240	0.000	1	114.7783	0.261	11	114.7783	0.261	11	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	114.3216	0.366	5	114.7783	0.261	11	114.7783	0.261	11	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	114.3480	0.000	1	114.3480	0.000	1	113.8480	0.500	2	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	113.3480	0.000	1	113.3480	0.000	1	113.8480	0.500	2	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.0260	0.000	1	119.0260	0.000	1	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|B<6>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	117.9390	0.214	4	117.8898	0.178	12	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	117.6073	0.760	3	117.8898	0.178	12	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|B<6>,2|C<3>,2|H<1>}	117.9565	0.292	4	117.8898	0.178	12	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.2740	0.000	1	117.8898	0.178	12	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	117.8070	0.000	1	117.8070	0.000	1	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	117.2300	0.000	1	117.2300	0.000	1	117.9161	0.263	15	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	113.9730	0.000	1	114.2380	0.085	3	114.2380	0.085	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	114.1920	0.000	1	114.2380	0.085	3	114.2380	0.085	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	114.5490	0.000	1	114.2380	0.085	3	114.2380	0.085	3	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	113.9630	0.000	1	113.9630	0.000	1	114.1746	0.056	5	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>}	114.0310	0.008	2	114.2275	0.056	4	114.1746	0.056	5	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	114.3390	0.000	1	114.2275	0.056	4	114.1746	0.056	5	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<3>,4|C<3>}	114.5090	0.000	1	114.2275	0.056	4	114.1746	0.056	5	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	116.0160	0.000	1	116.0160	0.000	1	115.8560	0.051	2	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	115.6960	0.000	1	115.6960	0.000	1	115.8560	0.051	2	116.8699	4.228	66	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	115.9740	0.407	2	115.9740	0.166	2	115.9740	0.166	2	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	119.5532	0.530	4	119.4058	0.238	6	119.4058	0.238	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	119.1110	0.293	2	119.4058	0.238	6	119.4058	0.238	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	118.9920	0.000	1	118.9920	0.000	1	117.6837	0.937	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	117.2560	0.000	1	117.2560	0.000	1	117.6837	0.937	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	117.5600	0.000	1	117.5395	0.001	2	117.6837	0.937	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	117.5190	0.000	1	117.5395	0.001	2	117.6837	0.937	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	118.5220	0.000	1	118.5220	0.000	1	117.6837	0.937	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	116.2530	0.000	1	116.2530	0.000	1	117.6837	0.937	6	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	119.1120	0.000	1	119.1120	0.000	1	119.1120	0.000	1	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	116.3553	0.154	3	116.3553	0.024	3	116.7556	0.533	7	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	116.5045	0.087	2	116.5045	0.008	2	116.7556	0.533	7	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	117.6070	1.042	2	117.6070	1.086	2	116.7556	0.533	7	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	116.5400	0.066	3	116.5400	0.004	3	116.3652	0.060	5	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	116.1030	0.059	2	116.1030	0.004	2	116.3652	0.060	5	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	116.8335	0.052	2	116.8335	0.003	2	116.8335	0.003	2	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.5696	0.585	36	114.5864	0.311	40	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	114.5440	0.000	1	114.5864	0.311	40	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	114.8020	0.089	3	114.5864	0.311	40	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|S<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	114.8280	0.000	1	114.8280	0.000	1	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O){1|H<1>,1|O<1>,2|C<3>}	114.2274	0.347	5	114.2274	0.121	5	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<2>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){2|C<3>,2|C<4>}	116.1960	0.000	1	116.1960	0.000	1	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	118.8250	0.000	1	118.8250	0.000	1	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	115.7560	0.000	1	115.7560	0.000	1	114.6979	0.722	49	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I){1|F<1>,1|I<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I){1|I<1>,4|C<3>}	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	115.7690	0.552	2	115.7690	0.304	2	115.7690	0.304	2	115.7702	2.753	85	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	112.7770	2.876	3	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>}	111.8145	0.441	2	111.8145	0.194	2	111.8145	0.194	2	112.7770	2.876	3	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a]){1|C<2>,1|S<2>,3|C<3>}	117.7250	0.000	1	117.7250	0.000	1	117.7250	0.000	1	116.5691	4.891	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	113.3975	0.230	2	113.3975	0.053	2	113.3975	0.053	2	116.5691	4.891	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a]){1|O<2>,1|S<2>,3|C<3>}	118.1825	0.288	2	118.1825	0.083	2	118.1825	0.083	2	116.5691	4.891	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	118.1100	0.000	1	117.5495	0.628	2	117.5495	0.628	2	116.5691	4.891	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	116.9890	0.000	1	117.5495	0.628	2	117.5495	0.628	2	116.5691	4.891	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C){1|C<2>,4|C<3>}	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	113.8083	0.101	6	113.8083	0.010	6	113.8083	0.010	6	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	115.6763	0.217	3	115.6763	0.047	3	115.6763	0.047	3	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|O<2>,4|C<3>}	117.2920	0.000	1	117.2920	0.000	1	117.2920	0.000	1	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	114.3530	0.000	1	114.3530	0.000	1	114.3530	0.000	1	114.9456	1.418	14	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|N<2>,2|C<3>}	112.4910	2.528	4	112.4910	6.391	4	112.4910	6.391	4	112.9626	3.199	10	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|H<1>,2|N<2>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	112.8124	0.645	5	112.8124	0.416	5	112.8124	0.416	5	112.9626	3.199	10	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]N[5a]S[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	112.9626	3.199	10	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	112.0460	0.171	2	112.0460	0.029	2	112.0460	0.029	2	112.0460	0.029	2	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:B[5]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H){1|Si<4>,1|B<3>,1|C<3>,1|S<2>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	115.5655	0.575	2	115.5655	0.330	2	115.5655	0.330	2	115.7121	1.287	8	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]){5|C<3>}	115.6470	0.501	2	115.6470	0.251	2	115.6470	0.251	2	115.7121	1.287	8	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<2>,1|N<3>,5|C<3>}	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	115.7121	1.287	8	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	116.7100	0.000	1	116.7100	0.000	1	116.9130	0.082	2	115.7121	1.287	8	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	117.1160	0.000	1	117.1160	0.000	1	116.9130	0.082	2	115.7121	1.287	8	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	115.7121	1.287	8	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	119.4410	0.000	1	119.4410	0.000	1	118.5030	1.186	3	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	117.3090	0.000	1	117.3090	0.000	1	118.5030	1.186	3	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(COO){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	118.7590	0.000	1	118.7590	0.000	1	118.5030	1.186	3	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O){2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	115.0671	0.402	8	115.0671	0.162	8	115.5727	1.139	13	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	117.8530	0.000	2	117.8530	0.000	2	115.5727	1.139	13	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	115.4007	0.035	3	115.4007	0.001	3	115.5727	1.139	13	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|O<1>,6|C<3>}	113.2470	0.000	1	113.2470	0.000	1	114.3443	0.922	3	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	114.7560	0.000	1	114.7560	0.000	1	114.3443	0.922	3	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a]){1|H<1>,2|C<3>,2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	115.0300	0.000	1	115.0300	0.000	1	114.3443	0.922	3	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Re<6>,1|N<3>,4|C<3>}	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,5|C<3>}	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.5090	0.000	1	118.5090	0.000	1	118.5090	0.000	1	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6,6a]C[5a])2(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	119.6950	0.006	2	119.6950	0.000	2	119.6950	0.000	2	116.1358	3.333	28	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	116.0873	0.154	3	116.2570	0.131	4	116.2622	0.098	5	115.7037	1.016	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	116.7660	0.000	1	116.2570	0.131	4	116.2622	0.098	5	115.7037	1.016	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|B<3>,1|C<4>,3|C<3>}	116.2830	0.000	1	116.2830	0.000	1	116.2622	0.098	5	115.7037	1.016	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	115.7037	1.016	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	115.7037	1.016	7	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){5|C<3>}	115.1390	0.000	1	115.1390	0.000	1	115.1390	0.000	1	115.4098	2.035	4	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C){2|H<1>,4|C<3>}	116.5000	0.086	2	116.5000	0.007	2	116.5000	0.007	2	115.4098	2.035	4	115.7409	4.178	270	116.2730	4.110	1280
643	727	727	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3){2|B<3>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	115.4098	2.035	4	115.7409	4.178	270	116.2730	4.110	1280
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.9190	0.000	1	125.8466	1.889	29	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.4148	0.696	6	125.8466	1.889	29	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.7627	0.251	3	125.8466	1.889	29	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.1173	1.674	17	125.8466	1.889	29	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.0820	0.000	1	125.8466	1.889	29	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.7780	0.000	1	125.8466	1.889	29	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.3235	0.875	2	125.3235	0.765	2	125.8128	1.805	31	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	122.7375	0.373	2	122.7375	0.139	2	122.7375	0.139	2	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	125.5751	2.273	34	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.7185	1.623	2	126.7185	2.634	2	126.6428	0.570	6	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.5275	0.392	2	126.5275	0.154	2	126.6428	0.570	6	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.6825	0.145	2	126.6825	0.021	2	126.6428	0.570	6	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	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>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	122.5472	1.625	5	122.6528	2.179	6	122.6528	2.179	6	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	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>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	123.1810	0.000	1	122.6528	2.179	6	122.6528	2.179	6	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H)	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)	C[6](C[6,6a]C[5,6a]N[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H){2|H<1>,2|O<1>,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>}	C[6](C[6,6a]C[5,6a]N[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	124.6180	0.000	1	124.6180	0.000	1	124.6180	0.000	1	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,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>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	128.6415	0.671	2	129.1377	0.964	3	129.1377	0.964	3	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,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>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	130.1300	0.000	1	129.1377	0.964	3	129.1377	0.964	3	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.6090	0.000	1	125.6090	0.000	1	125.2325	0.284	2	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|S<4>,2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.8560	0.000	1	124.8560	0.000	1	125.2325	0.284	2	125.4594	6.648	18	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	119.2310	0.000	1	119.0935	0.092	6	119.0935	0.092	6	118.8794	0.794	8	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	119.0660	0.331	5	119.0935	0.092	6	119.0935	0.092	6	118.8794	0.794	8	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	118.2370	1.998	2	118.2370	3.993	2	118.2370	3.993	2	118.8794	0.794	8	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	124.5731	8.687	61	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,4|C<3>}	126.4840	0.000	1	126.4840	0.000	1	126.4840	0.000	1	125.2340	3.125	2	125.2340	3.125	2	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	125.2340	3.125	2	125.2340	3.125	2	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a,6a]-3:C[6,6a]-3:S[5a]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a]){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	122.6530	0.000	1	122.6530	0.000	1	122.6530	0.000	1	122.6530	0.000	1	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a,6a]-3:C[6,6a]-3:S[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a]){1|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|S<2>,3|C<3>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.7440	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.8620	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.4837	0.210	3	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.8935	0.527	2	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.5576	0.454	8	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.9720	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.5280	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.9902	0.627	5	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.6190	0.552	3	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.1335	0.121	2	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.3590	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.0330	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.1110	0.000	1	125.1128	0.466	30	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.2180	0.153	2	124.6074	0.332	14	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.6723	0.599	12	124.6074	0.332	14	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.3930	0.000	1	125.2195	0.060	2	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.0460	0.000	1	125.2195	0.060	2	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]S[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<2>,1|N<3>,4|C<3>}	123.8110	0.000	1	123.8110	0.000	1	124.9391	0.473	47	124.8292	0.747	49	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	121.6595	0.359	2	121.6595	0.129	2	121.6595	0.129	2	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]H)(H){1|O<2>,5|C<3>}	126.4880	0.000	1	126.4880	0.000	1	126.4880	0.000	1	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	124.0156	0.595	8	124.0156	0.355	8	122.5650	2.986	15	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.5380	0.000	1	120.9071	0.542	7	122.5650	2.986	15	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.7140	0.000	1	120.9071	0.542	7	122.5650	2.986	15	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.0196	0.408	5	120.9071	0.542	7	122.5650	2.986	15	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.1230	0.911	2	127.1230	0.829	2	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.1540	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.5140	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.8100	0.433	3	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.9290	0.963	2	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.7301	0.824	8	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.4780	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.8310	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.9860	0.890	3	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.5207	0.197	3	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.6385	0.118	2	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.7630	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.3620	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.5670	0.000	1	126.1998	0.686	28	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.4870	0.000	1	126.4870	0.000	1	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.8080	0.000	1	126.8080	0.000	1	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	124.7345	0.473	2	124.7345	0.224	2	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	126.6445	0.052	2	126.6445	0.003	2	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	128.5490	0.000	1	128.5490	0.000	1	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	126.2515	0.214	2	125.3483	0.441	7	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	124.9870	0.280	5	125.3483	0.441	7	126.1337	0.918	44	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.4220	0.000	1	121.4220	0.000	1	121.4220	0.000	1	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O){1|C<4>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	120.5475	0.124	2	120.5475	0.015	2	120.5475	0.015	2	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|N<3>,1|O<1>,3|C<3>}	120.3035	0.193	2	120.3035	0.037	2	120.3035	0.037	2	124.8234	5.206	68	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<5>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	120.9730	0.000	1	121.6677	0.394	3	121.6677	0.394	3	121.6677	0.394	3	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<6>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]Co){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	122.0150	0.253	2	121.6677	0.394	3	121.6677	0.394	3	121.6677	0.394	3	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O){1|C<4>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]C[6]){1|C<4>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O){7|C<3>}	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	124.7339	3.449	123	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]Ru)	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]Ru){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	121.9585	0.289	2	121.9585	0.084	2	121.9585	0.084	2	121.8230	0.097	3	122.9440	5.091	4	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.8230	0.097	3	122.9440	5.091	4	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO)	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	126.3070	0.000	1	126.3070	0.000	1	126.3070	0.000	1	126.3070	0.000	1	122.9440	5.091	4	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	123.4395	0.476	2	123.4395	0.226	2	121.0211	2.458	8	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6]){2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	120.2150	0.526	6	120.2150	0.277	6	121.0211	2.458	8	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	126.0880	0.519	2	126.0880	0.269	2	126.9100	0.713	5	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	127.4580	0.408	3	127.4580	0.166	3	126.9100	0.713	5	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|S<2>,2|C<4>,6|C<3>}	121.0085	0.356	2	121.0085	0.127	2	121.0085	0.127	2	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Rh)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	122.1910	0.000	1	122.1910	0.000	1	124.4734	1.801	5	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	125.0440	0.480	4	125.0440	0.230	4	124.4734	1.801	5	123.3552	7.970	20	122.8438	13.063	21	124.4592	6.171	212
643	727	762	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	122.8438	13.063	21	124.4592	6.171	212
643	727	762	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[3x6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	119.6870	0.170	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[3x6]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	118.8900	0.000	1	118.8900	0.000	1	118.8900	0.000	1	118.8900	0.000	1	119.6870	0.170	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[3x6]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2){4|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	119.8930	0.030	3	119.6870	0.170	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[3x6]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	119.9440	0.000	1	119.9440	0.000	1	119.8225	0.030	2	119.8930	0.030	3	119.6870	0.170	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[3x6]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[5,6,6]2){4|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	119.7010	0.000	1	119.7010	0.000	1	119.8225	0.030	2	119.8930	0.030	3	119.6870	0.170	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6,6a]	C[5,6,6a]	C[3x6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6]){2|C<4>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	119.8560	0.000	1	119.8560	0.000	1	119.8560	0.000	1	119.8560	0.000	1	119.6870	0.170	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:2:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[6a]-2:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	116.3670	0.267	3	116.3670	0.071	3	116.3670	0.071	3	116.3670	0.071	3	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<2>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7057	1.519	4	116.7057	2.308	4	116.6947	0.857	10	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4795	0.317	2	116.6873	0.157	6	116.6947	0.857	10	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7960	0.693	2	116.6873	0.157	6	116.6947	0.857	10	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7865	0.274	2	116.6873	0.157	6	116.6947	0.857	10	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3445	0.408	2	117.3133	0.086	3	117.1624	1.814	11	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2510	0.000	1	117.3133	0.086	3	117.1624	1.814	11	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.0570	1.365	4	116.0570	1.863	4	117.1624	1.814	11	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2335	0.152	2	117.2335	0.023	2	117.1624	1.814	11	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<5>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0755	0.260	2	119.0755	0.067	2	117.1624	1.814	11	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3590	0.000	1	116.6600	0.181	2	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9610	0.000	1	116.6600	0.181	2	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0400	0.000	1	117.0400	0.000	1	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6730	0.000	1	117.6730	0.000	1	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.6580	1.008	2	116.7950	0.365	4	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.8950	0.000	1	116.7950	0.365	4	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9690	0.000	1	116.7950	0.365	4	116.9016	0.293	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7820	0.000	1	116.7820	0.000	1	117.1448	0.449	6	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7130	0.078	2	117.7130	0.006	2	117.1448	0.449	6	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8010	0.000	1	117.8010	0.000	1	117.1448	0.449	6	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.5050	0.000	1	116.5050	0.000	1	117.1448	0.449	6	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3550	0.000	1	116.3550	0.000	1	117.1448	0.449	6	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	117.8170	0.380	3	117.8170	0.144	3	117.8371	0.144	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	118.4220	0.000	1	117.8492	0.180	5	117.8371	0.144	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	117.7060	0.321	4	117.8492	0.180	5	117.8371	0.144	8	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7938	0.752	12	116.7938	0.565	12	116.7938	0.565	12	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	116.8070	0.000	1	116.8070	0.000	1	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4430	0.237	3	116.4430	0.056	3	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.7758	0.272	6	115.7409	0.070	7	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.5310	0.000	1	115.7409	0.070	7	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1770	0.296	2	116.1770	0.087	2	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.6522	0.335	6	116.6522	0.112	6	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Nb<7>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3035	0.337	2	116.3035	0.114	2	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3210	0.000	1	116.3210	0.000	1	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Br<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1280	0.000	1	116.1386	0.011	5	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<2>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1867	0.102	3	116.1386	0.011	5	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.0050	0.000	1	116.1386	0.011	5	116.2300	0.178	27	116.7629	0.788	83	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){4|C<3>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	116.2095	0.194	2	116.2095	0.038	2	116.2095	0.038	2	116.2095	0.038	2	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	116.4995	0.667	2	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3){1|H<1>,1|N<3>,5|C<3>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	116.4995	0.667	2	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	113.5880	0.000	1	113.5880	0.000	1	113.5880	0.000	1	116.1020	6.024	3	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	116.1020	6.024	3	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	116.1020	6.024	3	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O)	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:P[5,6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]P[6]Si)(H)	C[6,6a](C[5,6,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W){1|Si<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]P[6]Si)(H){1|H<1>,1|P<4>,3|C<3>}	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	116.8260	0.109	2	116.8260	0.012	2	116.8260	0.012	2	116.8260	0.012	2	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	115.0706	2.129	8	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6,6]Ru)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<12>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6,6]Ru)(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H){1|Ru<12>,1|H<1>,2|C<3>,2|C<4>}	113.9703	0.889	4	113.9703	0.791	4	114.6938	1.735	6	115.0706	2.129	8	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.1410	0.136	2	116.1410	0.018	2	114.6938	1.735	6	115.0706	2.129	8	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]Mo)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]Mo)(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	115.0130	0.000	1	115.0130	0.000	1	115.0130	0.000	1	115.0706	2.129	8	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	116.3020	0.208	2	116.3020	0.043	2	116.3020	0.043	2	115.4408	0.995	6	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.8255	0.151	2	115.8255	0.023	2	115.0102	0.902	4	115.4408	0.995	6	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	114.1950	0.156	2	114.1950	0.024	2	115.0102	0.902	4	115.4408	0.995	6	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.1100	0.795	2	118.1100	0.632	2	118.1100	0.632	2	118.1100	0.632	2	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:2:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:C-2:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.9585	0.095	2	118.9585	0.009	2	118.9585	0.009	2	118.9585	0.009	2	116.6347	1.349	116	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,4|C<3>}	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	118.6765	1.327	2	116.7798	2.523	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	118.6765	1.327	2	116.7798	2.523	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	115.2750	0.000	1	115.8315	0.165	4	115.8315	0.165	4	115.8315	0.165	4	116.7798	2.523	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	115.9905	0.279	2	115.8315	0.165	4	115.8315	0.165	4	115.8315	0.165	4	116.7798	2.523	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	116.0700	0.000	1	115.8315	0.165	4	115.8315	0.165	4	115.8315	0.165	4	116.7798	2.523	6	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.7180	0.281	2	117.7180	0.079	2	117.7180	0.079	2	117.2733	0.633	3	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,4|C<3>}	116.3840	0.000	1	116.3840	0.000	1	116.3840	0.000	1	117.2733	0.633	3	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	116.1920	0.000	1	116.1920	0.000	1	115.9578	0.279	8	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	116.7710	0.000	1	115.9243	0.315	7	115.9578	0.279	8	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	115.7832	0.459	6	115.9243	0.315	7	115.9578	0.279	8	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[5,6]I)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[5,6]I)(H){1|O<2>,5|C<3>}	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	115.5360	0.000	1	115.5360	0.000	1	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	115.2210	0.000	1	115.2210	0.000	1	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	114.1280	0.000	1	114.1280	0.000	1	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.2298	0.262	6	116.2298	0.069	6	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	114.5660	0.000	1	114.5660	0.000	1	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	114.7260	0.000	1	115.9691	1.746	27	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	115.1520	0.116	2	115.9691	1.746	27	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.0890	1.354	24	115.9691	1.746	27	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|H<1>,2|I<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	115.0245	0.221	2	115.0245	0.049	2	115.8473	1.408	39	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	115.2430	0.000	1	115.2722	0.066	4	115.2845	0.095	11	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	115.2820	0.313	3	115.2722	0.066	4	115.2845	0.095	11	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	115.2916	0.354	7	115.2916	0.126	7	115.2845	0.095	11	115.7763	1.072	60	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	115.8715	0.596	2	115.8715	0.355	2	115.8715	0.355	2	115.8715	0.355	2	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	115.8461	1.367	67	116.4621	1.808	195
643	727	762	6:SP2_SP2_SP2	C[6,6a]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH){1|C<4>,1|H<1>,3|C<3>}	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	115.8461	1.367	67	116.4621	1.808	195
643	727	769	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:4:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[5,6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[5,6a]H)(C[4]C[4]HH){2|H<1>,3|C<3>}	115.3480	0.000	1	115.3480	0.000	1	115.3480	0.000	1	115.3480	0.000	1	113.5653	2.316	4	113.5653	2.316	4
643	727	769	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[4,6a]	3:3:1:	3:3:4:	4:3:3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[4,6,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH)	C[4,6a](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6a]C[4,6,6]C[6a])(C[6a]C[5,6a]H)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H){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[4,6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[4,6a](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6a]C[4,6,6]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,4|C<4>}	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.5653	2.316	4	113.5653	2.316	4
643	727	769	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[4,6a]	3:3:3:	3:3:4:	3:3:4:	C[4,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[4,6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH)	C[4,6a](C[6a]C[5,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[4,6a](C[6a]C[5,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[4]HH){1|C<4>,3|C<3>,3|H<1>}	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.5653	2.316	4	113.5653	2.316	4
643	727	769	6:SP2_SP2_SP2	C[6a]	C[5,6a]	C[4,6a]	3:3:4:	3:3:3:	3:4:3:	C[4,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O)	C[4,6a](C[4,6a]C[4,6,6]C[6a])(C[4,6,6]C[4,6,6]2O)(C[6a]C[5,6a]C)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	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>}	C[4,6a](C[4,6a]C[4,6,6]C[6a])(C[4,6,6]C[4,6,6]2O)(C[6a]C[5,6a]C){2|C<4>,3|C<3>,3|H<1>}	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	113.5653	2.316	4	113.5653	2.316	4
643	727	770	0:SP2_SP2_SP2	C[6a]	C[5,6a]	B	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[5,6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:F-1:F-1:	C[6a](C[5,6a]C[5,6a]C[5])2(BFF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	B(C[6a]C[5,6a]2)(F)2	C[6a](C[5,6a]C[5,6a]C[5])2(BFF){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	B(C[6a]C[5,6a]2)(F)2	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	122.0257	32.319	6	122.8615	26.114	8
643	727	770	0:SP2_SP2_SP2	C[6a]	C[5,6a]	B	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(BOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH)	B(C[6a]C[5,6a]C[6a])(OH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(BOO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	B(C[6a]C[5,6a]C[6a])(OH)2	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	122.0257	32.319	6	122.8615	26.114	8
643	727	770	0:SP2_SP2_SP2	C[6a]	C[5,6a]	B	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])2(BC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	B(C[6a]C[5,6a]2)2(H)	C[6a](C[5,6a]C[5,6a]C[5])2(BC[6a]H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	B(C[6a]C[5,6a]2)2(H)	121.8067	7.274	4	121.8067	52.910	4	121.8067	52.910	4	121.8067	52.910	4	122.0257	32.319	6	122.8615	26.114	8
643	727	770	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	B	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B)	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B){2|H<1>,3|C<3>}	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	126.8580	0.000	1	126.8580	0.000	1	126.8580	0.000	1	126.8580	0.000	1	125.3690	4.434	2	122.8615	26.114	8
643	727	770	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	B	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B)	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B){1|H<1>,4|C<3>}	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	123.8800	0.000	1	123.8800	0.000	1	123.8800	0.000	1	123.8800	0.000	1	125.3690	4.434	2	122.8615	26.114	8
643	727	778	0:SP2_SP2_SPD5	C[6a]	C[5,6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5,6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[5,6a]C[6a])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|C<5>,3|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[5,6a]C[6a]){1|B<6>,3|C<3>,7|H<1>}	127.5590	0.000	1	127.5590	0.000	1	127.5590	0.000	1	127.5590	0.000	1	127.5590	0.000	1	127.5590	0.000	1
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	Cl	3:2:1:	4:3:3:	3:	C[5,6,6a]-3:N[6a]-2:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl)	Cl(C[6a]C[5,6,6a]N[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[5,6,6a]N[6a])	120.3110	0.000	1	120.3110	0.000	1	120.3110	0.000	1	120.3110	0.000	1	120.0433	0.076	3	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	Cl	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[5,6,6a]C[6a])	119.9095	0.210	2	119.9095	0.044	2	119.9095	0.044	2	119.9095	0.044	2	120.0433	0.076	3	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:Cl-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	Cl(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]N[6a])	121.8822	0.593	4	121.8822	0.352	4	121.8822	0.352	4	121.8822	0.352	4	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:2:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-2:Cl-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	Cl(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	Cl(C[6a]C[5,6a]N[6a])	120.1040	0.000	1	120.1040	0.000	1	120.1040	0.000	1	120.1040	0.000	1	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5])	Cl(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[5,6a]2)	120.2570	1.578	2	120.2570	2.491	2	119.4963	3.715	4	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5])	Cl(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){2|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[5,6a]2)	118.7355	2.518	2	118.7355	6.340	2	119.4963	3.715	4	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	Cl(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(Cl){2|Ga<5>,1|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	Cl(C[6a]C[5,6a]2)	119.3060	0.857	2	119.3060	0.734	2	119.3060	0.734	2	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	Cl(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5,6a]2)	120.8385	1.034	2	120.8385	1.070	2	120.2516	0.359	10	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5])	Cl(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]S[5])(Cl){2|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5,6a]2)	120.1195	0.831	2	120.1195	0.690	2	120.2516	0.359	10	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(Cl)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	Cl(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(Cl){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	Cl(C[6a]C[5,6a]2)	120.1000	0.349	6	120.1000	0.122	6	120.2516	0.359	10	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ga<5>,1|C<3>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6,6a]H)(Cl)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6,6a]H)(Cl){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5]){1|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.6697	0.471	4	118.6697	0.221	4	118.6697	0.221	4	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[5,6a]C[6a])	120.5370	0.000	1	120.5370	0.000	1	119.5703	0.906	8	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.2775	0.566	2	120.2775	0.321	2	119.5703	0.906	8	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.9660	0.000	1	119.9660	0.000	1	119.5703	0.906	8	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	Cl(C[6a]C[5,6a]C[6a])	118.8760	0.817	4	118.8760	0.668	4	119.5703	0.906	8	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.1555	0.200	2	119.1555	0.040	2	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|Ge<5>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	118.4913	0.120	4	118.4913	0.015	4	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|In<6>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5]){3|Cl<1>,1|C<3>,3|N<3>}	Cl(C[6a]C[5,6a]C[6a])	117.9400	0.430	2	117.9400	0.185	2	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5]){2|Cl<1>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.8810	0.539	2	119.8810	0.290	2	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,1|C<3>,4|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.5803	0.988	75	119.5882	0.954	77	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,2|C<3>,3|N<3>}	Cl(C[6a]C[5,6a]C[6a])	119.8845	0.180	2	119.5882	0.954	77	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5]){2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	Cl(C[6a]C[5,6a]C[6a])	120.0845	0.507	2	120.0845	0.257	2	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.9042	0.773	4	119.7583	0.303	8	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.6123	0.229	4	119.7583	0.303	8	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6]){2|Cl<1>,1|C<3>,3|N<3>}	Cl(C[6a]C[5,6a]C[6a])	120.2130	0.486	2	120.2130	0.237	2	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.4245	0.815	2	119.4245	0.665	2	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<2>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.0820	1.182	2	119.7469	0.717	8	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.9785	0.643	4	119.7469	0.717	8	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,2|C<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.9485	1.097	2	119.7469	0.717	8	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5]){1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	120.8620	0.000	1	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.2370	0.000	1	120.2370	0.000	1	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	120.9023	0.532	19	120.9023	0.283	19	119.7687	1.005	130	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5])	Cl(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[5a,6a]C[5,6a])	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5])	Cl(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5a,6a]C[5,6a])	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	119.7524	1.018	161	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|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>}	Cl(C[6a]C[5,6a]C[6a])	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,5|C<3>}	Cl(C[6a]C[5,6a]C[6a])	124.3400	0.000	1	124.3400	0.000	1	124.3400	0.000	1	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|S<2>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	122.1120	0.405	3	122.3323	0.303	4	122.3323	0.303	4	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl){3|Cl<1>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	122.9930	0.000	1	122.3323	0.303	4	122.3323	0.303	4	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.0270	0.000	1	121.0270	0.000	1	121.6065	0.237	6	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.2060	0.000	1	121.2060	0.000	1	121.6065	0.237	6	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,5|C<3>}	Cl(C[6a]C[5,6a]C[6a])	122.0630	0.000	1	122.0630	0.000	1	121.6065	0.237	6	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	122.2740	0.000	1	122.2740	0.000	1	121.6065	0.237	6	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|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>}	Cl(C[6a]C[5,6a]C[6a])	121.5345	0.152	2	121.5345	0.023	2	121.6065	0.237	6	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(Cl){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,3|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>}	Cl(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	120.8520	0.000	1	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	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>}	Cl(C[6a]C[5,6a]C[6a])	119.9690	0.000	1	119.9690	0.000	1	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<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>}	Cl(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.7360	0.000	1	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	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>}	Cl(C[6a]C[5,6a]C[6a])	121.2900	0.327	4	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	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>}	Cl(C[6a]C[5,6a]C[6a])	120.9560	0.000	1	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,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|B<4>,1|C<3>,1|O<1>}	Cl(C[6a]C[5,6a]C[6a])	120.8960	0.205	2	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,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>}	Cl(C[6a]C[5,6a]C[6a])	121.3693	0.622	6	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,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>}	Cl(C[6a]C[5,6a]C[6a])	121.2360	0.167	2	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,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>}	Cl(C[6a]C[5,6a]C[6a])	121.4748	0.415	4	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,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|O<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.3407	0.295	21	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|N<3>,1|O<1>,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<3>,1|C<4>,1|O<1>}	Cl(C[6a]C[5,6a]C[6a])	121.3840	0.000	1	121.3179	0.130	41	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O){2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.0190	0.000	1	121.0190	0.000	1	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	Cl(C[6a]C[5,6a]C[6a])	121.7860	0.245	2	121.7860	0.060	2	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.3050	0.000	1	120.3050	0.000	1	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.8000	0.723	2	120.8000	0.522	2	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<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>}	Cl(C[6a]C[5,6a]C[6a])	120.3040	0.000	1	120.1524	0.169	5	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<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|C<4>,1|O<1>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.7290	0.000	1	120.1524	0.169	5	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<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>}	Cl(C[6a]C[5,6a]C[6a])	119.7935	0.250	2	120.1524	0.169	5	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<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>}	Cl(C[6a]C[5,6a]C[6a])	120.1420	0.000	1	120.1524	0.169	5	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<1>,1|S<2>,2|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>}	Cl(C[6a]C[5,6a]C[6a])	120.7255	0.326	2	120.5702	0.062	5	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<1>,1|S<3>,2|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>}	Cl(C[6a]C[5,6a]C[6a])	120.4667	0.174	3	120.5702	0.062	5	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl){1|H<1>,1|N<3>,1|O<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|C<4>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[5,6a]C[6a])	118.8670	0.000	1	118.8670	0.000	1	121.0585	0.378	61	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.0220	0.000	1	119.0220	0.000	1	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.7375	0.359	4	121.7375	0.129	4	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	122.1540	0.000	1	122.1540	0.000	1	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	121.0840	0.000	1	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	123.1070	0.000	1	122.0263	3.507	3	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	123.1080	0.000	1	122.0263	3.507	3	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.8640	0.000	1	122.0263	3.507	3	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	123.4315	0.042	2	123.5277	0.029	3	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	123.7200	0.000	1	123.5277	0.029	3	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	Cl(C[6a]C[5,6a]C[6a])	123.1210	0.000	1	123.3315	0.094	4	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	123.7440	0.000	1	123.3315	0.094	4	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	123.0770	0.000	1	123.3315	0.094	4	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	123.3840	0.000	1	123.3315	0.094	4	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.9580	0.082	2	119.7936	0.370	8	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[5,6a]C[6a])	120.9960	0.000	1	119.7936	0.370	8	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.0470	0.000	1	119.7936	0.370	8	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	Cl(C[6a]C[5,6a]C[6a])	119.4710	0.000	1	119.7936	0.370	8	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	Cl(C[6a]C[5,6a]C[6a])	119.4565	0.384	2	119.7936	0.370	8	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	Cl(C[6a]C[5,6a]C[6a])	120.0060	0.000	1	119.7936	0.370	8	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.7572	0.502	4	120.7572	0.252	4	121.3992	2.494	29	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,5|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.4575	0.240	2	120.4575	0.057	2	120.4575	0.057	2	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	Cl(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]N[6a])	129.3440	0.000	1	129.3440	0.000	1	129.3440	0.000	1	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	Cl(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	Cl(C[6a]C[5a,6a]C[5,6a])	123.4020	0.000	1	123.4020	0.000	1	123.4020	0.000	1	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl)	Cl(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]Cl){7|C<3>}	Cl(C[6a]C[6a,6a]C[5,6a])	122.0230	0.304	2	122.0230	0.092	2	122.0230	0.092	2	121.3529	1.770	109	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Cl){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[5,6a]C[6a])	118.9360	0.000	1	118.9360	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|Si<4>,2|Cl<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.8620	0.000	1	118.8620	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,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]CO){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	Cl(C[6a]C[5,6a]C[6a])	120.9190	0.000	1	120.9190	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.8270	0.000	1	120.8270	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.3440	0.000	1	119.1453	0.072	4	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){2|C<3>,4|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.7630	0.000	1	119.1453	0.072	4	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.2370	0.112	2	119.1453	0.072	4	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH){1|C<2>,1|C<3>,1|S<4>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.5220	0.000	1	119.5220	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){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]Cl)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.1660	0.000	1	121.0677	0.069	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){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]Cl)(C[5]C[5]CC){1|Cl<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.2670	0.000	1	121.0677	0.069	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){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]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.7700	0.000	1	121.0677	0.069	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.1950	0.000	1	120.1950	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.4960	0.000	1	119.9213	0.284	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.4440	0.000	1	119.9213	0.284	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.8240	0.000	1	119.9213	0.284	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.3000	0.185	3	121.3000	0.034	3	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.5585	0.090	2	119.5585	0.008	2	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN){2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.1060	0.672	2	120.1060	0.451	2	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl){1|Cl<1>,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]Cl)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.5270	0.000	1	121.5270	0.000	1	120.1485	0.840	24	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO){2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	Cl(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){1|C<4>,4|H<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[5,6a])	121.1660	0.000	1	120.7460	0.353	2	120.7460	0.353	2	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	Cl(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){4|H<1>,7|C<3>}	Cl(C[6a]C[6a,6a]C[5,6a])	120.3260	0.000	1	120.7460	0.353	2	120.7460	0.353	2	120.1914	0.782	27	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl){4|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.0470	0.000	1	120.4490	0.715	2	120.4490	0.715	2	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.8510	0.000	1	120.4490	0.715	2	120.4490	0.715	2	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|N<2>,1|O<1>,3|C<4>}	Cl(C[6a]C[5,6a]C[6a])	122.7940	0.000	1	122.4040	0.189	3	121.2467	1.547	7	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|O<1>,2|C<3>,3|C<4>}	Cl(C[6a]C[5,6a]C[6a])	122.2090	0.387	2	122.4040	0.189	3	121.2467	1.547	7	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.0880	0.000	1	121.0880	0.000	1	121.2467	1.547	7	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl){1|Si<4>,2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.3110	0.000	1	119.3110	0.000	1	121.2467	1.547	7	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.8440	0.000	1	120.8440	0.000	1	121.2467	1.547	7	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.2720	0.000	1	120.2720	0.000	1	121.2467	1.547	7	121.0964	1.228	10	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.9980	0.000	1	120.9980	0.000	1	120.9980	0.000	1	120.9234	1.175	5	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	Cl(C[6a]C[5,6a]C[6a])	121.4060	0.000	1	121.4060	0.000	1	120.9048	1.565	4	120.9234	1.175	5	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	Cl(C[6a]C[5,6a]C[6a])	122.3150	0.000	1	122.3150	0.000	1	120.9048	1.565	4	120.9234	1.175	5	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.3890	0.000	1	119.3890	0.000	1	120.9048	1.565	4	120.9234	1.175	5	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Cl	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.5090	0.000	1	120.9048	1.565	4	120.9234	1.175	5	120.4290	1.816	317	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	118.8800	0.741	2	118.8800	0.549	2	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a]){1|Br<1>,1|C<3>}	Cl(C[6a]C[5a,6a]N[6a])	118.3780	0.000	1	118.3780	0.000	1	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	Cl(C[6a]C[5a,6a]N[6a])	121.2150	0.000	1	121.2150	0.000	1	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	120.7556	0.680	20	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[5a,6a]N[6a])	120.7120	0.052	2	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	120.8290	0.000	1	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|I<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	121.4250	0.000	1	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	120.0422	0.694	4	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	120.3190	0.000	1	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]N[6a])	120.3520	0.480	3	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	120.9906	0.710	8	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	120.8770	0.206	2	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]N[6a])	120.7720	0.000	1	120.7159	0.424	43	120.5987	0.656	47	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[5a,6a]N[6a])	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	Cl(C[6a]C[5a,6a]N[6a])	116.9630	0.272	4	116.9630	0.074	4	116.9630	0.074	4	120.3017	1.559	52	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[5a,6a]N[6a])	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	Cl(C[6a]C[5a,6a]N[6a])	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6a]C[5a,6a]N[6a])	120.0230	0.000	1	119.9625	0.007	2	119.9267	0.075	4	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	119.9020	0.000	1	119.9625	0.007	2	119.9267	0.075	4	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	Cl(C[6a]C[5a,6a]N[6a])	119.5650	0.000	1	119.8910	0.213	2	119.9267	0.075	4	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	Cl(C[6a]C[5a,6a]N[6a])	120.2170	0.000	1	119.8910	0.213	2	119.9267	0.075	4	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	122.5315	0.169	2	122.5315	0.029	2	121.9445	0.322	8	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	Cl(C[6a]C[5a,6a]N[6a])	121.8190	0.000	1	121.8688	0.218	5	121.9445	0.322	8	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	121.6330	0.256	3	121.8688	0.218	5	121.9445	0.322	8	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	122.6260	0.000	1	121.8688	0.218	5	121.9445	0.322	8	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	121.1490	0.000	1	121.1490	0.000	1	121.9445	0.322	8	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	Cl(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]N[6a])	122.0580	0.981	2	122.0580	0.963	2	122.0580	0.963	2	121.1202	1.663	16	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|O<2>}	Cl(C[6a]C[5a,6a]C[6a])	119.6075	0.314	4	119.6075	0.099	4	119.6075	0.099	4	119.6075	0.099	4	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a])	Cl(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[5a,6a]C[5,6a])	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a])	Cl(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<3>,1|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5a,6a]C[5,6a])	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[5a,6a]2)	123.2310	0.000	1	123.2310	0.000	1	122.2290	1.124	3	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a])	Cl(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(Cl){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5a,6a]2)	121.7280	0.861	2	121.7280	0.742	2	122.2290	1.124	3	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a])	Cl(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(Cl){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	Cl(C[6a]C[5a,6a]2)	123.1720	0.000	1	123.1720	0.000	1	123.1720	0.000	1	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6,6a]Cl)(S[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6,6a]Cl)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6,6a])	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6]){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[6a]C[5a,6a]C[6a])	119.1100	0.000	1	119.1100	0.000	1	119.5428	0.531	10	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.2150	0.000	1	119.0662	0.302	4	119.5428	0.531	10	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.0167	0.662	3	119.0662	0.302	4	119.5428	0.531	10	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.6170	0.297	3	119.6170	0.088	3	119.5428	0.531	10	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	120.6010	0.587	2	120.6010	0.344	2	119.5428	0.531	10	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|N<3>,2|C<2>}	Cl(C[6a]C[5a,6a]C[6a])	119.7340	0.000	1	119.7340	0.000	1	119.8115	0.012	2	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Cl){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){2|H<1>,3|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	119.8890	0.000	1	119.8890	0.000	1	119.8115	0.012	2	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	119.6646	4.031	20	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(Cl){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	Cl(C[6a]C[5a,6a]C[5,6a])	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	Cl(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Cl){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	Cl(C[6a]C[5a,6a]2)	122.0595	0.015	2	122.0595	0.000	2	122.0595	0.000	2	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	119.8273	0.488	15	119.8273	0.238	15	119.8273	0.238	15	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl){3|C<3>,4|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.8990	0.000	1	119.8990	0.000	1	120.7585	1.477	2	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl){1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	121.6180	0.000	1	121.6180	0.000	1	120.7585	1.477	2	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	120.9430	0.553	2	120.5130	0.399	4	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,4|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	120.0830	0.390	2	120.5130	0.399	4	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	118.5310	0.000	1	118.5310	0.000	1	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S){1|C<3>,4|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	121.1780	0.000	1	121.1780	0.000	1	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	118.8620	0.000	1	118.8620	0.000	1	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	120.3700	0.000	1	119.9903	0.258	3	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,3|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.4130	0.000	1	119.9903	0.258	3	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	120.1880	0.000	1	119.9903	0.258	3	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	117.8290	0.000	1	117.8290	0.000	1	119.8566	1.210	11	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){2|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	121.7360	0.000	1	121.7360	0.000	1	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	120.2040	0.665	3	120.2040	0.443	3	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.7900	0.363	2	119.6390	0.088	4	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	119.3480	0.000	1	119.6390	0.088	4	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	119.6280	0.000	1	119.6390	0.088	4	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	122.0600	0.000	1	122.0600	0.000	1	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	122.8560	0.000	1	122.8560	0.000	1	120.5820	1.536	10	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[5a,6a]C[6a])	122.8510	0.000	1	122.8510	0.000	1	122.9140	0.008	2	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456
643	727	790	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	122.9770	0.000	1	122.9770	0.000	1	122.9140	0.008	2	120.2667	1.524	44	120.2725	1.982	136	120.3798	1.855	456