622	466	786	6:SP3_SP3_SP3	O[6]	C[6]	B[5,6,6]	4:4:	2:4:1:1:	3:3:3:2:	B[5,6,6]-4:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:N[6,6]-3:O[6]-2:	O[6](B[5,6,6]C[5,6a]N[5,6]N[6,6])(C[6]C[6]HH)	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6])	O[6](B[5,6,6]C[5,6a]N[5,6]N[6,6])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,5|C<3>,7|H<1>}	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	117.4913	10.927	3
622	466	786	6:SP3_SP3_SP3	O[6]	C[6]	B[5,6]	4:4:	4:2:1:1:	3:4:2:2:	B[5,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	O[6](B[5,6]C[5,6a]N[5]O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	O[6](B[5,6]C[5,6a]N[5]O[6])(C[6]C[6]HH){2|C<3>,6|C<4>}	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2{1|C<4>,2|C<3>,7|H<1>}	119.3345	1.213	2	119.3345	1.471	2	119.3345	1.471	2	119.3345	1.471	2	119.3345	1.471	2	117.4913	10.927	3
622	466	813	6:SP3_SP2_SP3	O[6]	C[6]	N[5a,6]	3:4:	2:4:4:4:	3:2:2:	N[5a,6]-3:C[6]-4:	O[6]-2:C[6]-4:C-4:C-4:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6])	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,2|N<2>}	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1
622	466	818	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[5,6,6]	3:4:	4:4:2:1:	4:2:3:	C[5,6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	110.1420	0.000	1	110.1420	0.000	1	110.1370	0.000	2	110.1370	0.000	2	110.1370	0.000	2	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6,6]	C[3x6]	C[5,6,6]	3:4:	4:4:2:1:	4:2:3:	C[5,6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.1320	0.000	1	110.1320	0.000	1	110.1370	0.000	2	110.1370	0.000	2	110.1370	0.000	2	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[3x6]	C[5,6]	4:3:	4:4:4:2:	3:4:2:	C[3x6]-4:C[5,6]-3:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[5,6]-3:C[5]-4:O[6]-2:	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5]){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6]){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	115.5277	1.268	4	115.5277	1.607	4	115.5277	1.607	4	115.5277	1.607	4	115.5277	1.607	4	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6,6]	C[5,6]	3:4:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6,6]-4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	114.8543	0.059	3	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6,6]	C[5,6]	3:4:	4:2:3:1:	3:3:2:	C[5,6]-3:C[6,6]-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.7145	0.012	2	114.7145	0.000	2	114.7145	0.000	2	114.7145	0.000	2	114.8543	0.059	3	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	2:3:4:1:	3:3:2:	C[5,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	3:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6])	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6]){1|S<1>,3|H<1>,4|C<3>}	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	3:2:4:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:O[6]-2:S[5]-2:	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	109.8673	2.190	173	109.8707	4.746	175	109.8707	4.746	175	109.8807	4.599	181	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:O[6]-2:S[5]-2:	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<4>,1|S<1>,2|H<1>}	110.1720	0.823	2	109.8707	4.746	175	109.8707	4.746	175	109.8807	4.599	181	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:Se[5]-2:O[6]-2:	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	110.1700	0.521	6	110.1700	0.271	6	110.1700	0.271	6	109.8807	4.599	181	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	112.4030	0.000	1	112.4297	0.094	6	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	112.1275	0.203	2	112.4297	0.094	6	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	112.6400	0.239	3	112.4297	0.094	6	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	108.6150	0.000	1	108.6150	0.000	1	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	108.6510	0.000	1	108.6510	0.000	1	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>,2|O<1>}	114.4230	0.362	2	114.2177	3.333	6	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	114.1150	2.339	4	114.2177	3.333	6	112.6536	4.957	14	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.6124	4.629	15	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	4:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	111.8935	0.247	2	111.8935	0.061	2	111.8935	0.061	2	111.8935	0.061	2	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:2:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.0765	0.586	2	112.0765	0.344	2	112.4663	0.628	3	112.4663	0.628	3	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:2:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.2460	0.000	1	113.2460	0.000	1	112.4663	0.628	3	112.4663	0.628	3	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:3:2:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO){1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	112.5307	0.863	3	112.5307	0.745	3	112.5307	0.745	3	112.5307	0.745	3	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	4:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	115.8560	0.000	3	115.8560	0.000	3	115.8560	0.000	3	115.8560	0.000	3	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:4:3:	4:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-3:	C[5,6,6]-4:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:4:4:	3:3:2:	C[5,6]-3:C[6]-4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	114.5887	0.136	3	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:4:4:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	114.4760	0.443	2	114.4760	0.196	2	114.4760	0.196	2	114.5887	0.136	3	110.4504	6.281	216	110.5966	6.750	225
622	466	818	6:SP2_SP2_SP3	O[6]	C[6]	C[5,6]	3:4:	4:2:4:4:	4:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[5,5,6,6]-4:C[5]-3:O[6]-2:	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6])	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	110.4504	6.281	216	110.5966	6.750	225
622	466	849	6:SP3_SP3_SP3	O[6,6]	C[3x6]	P[3x6]	4:4:	4:4:2:1:	2:2:2:1:	C[3x6]-4:P[3x6]-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-1:	O[6,6](C[3x6]C[6,6]2H)(P[3x6]O[6,6]2O)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H)	P[3x6](O[6,6]C[3x6])3(O)	O[6,6](C[3x6]C[6,6]2H)(P[3x6]O[6,6]2O){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	P[3x6](O[6,6]C[3x6])3(O){3|C<4>,3|H<1>}	113.9700	0.371	3	113.9700	0.137	3	113.9700	0.137	3	113.9700	0.137	3	113.9700	0.137	3	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6,6]	C[6,6]	P[3x6]	4:4:	4:2:1:1:	2:2:2:1:	C[6,6]-4:P[3x6]-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-1:	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	P[3x6](O[6,6]C[6,6])3(O)	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O){1|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	P[3x6](O[6,6]C[6,6])3(O){1|C<4>,6|H<1>}	114.6970	0.609	9	114.3898	0.400	18	114.3898	0.400	18	114.4589	0.379	21	114.4589	0.379	21	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6,6]	C[6,6]	P[3x6]	4:4:	4:2:1:1:	2:2:2:1:	C[6,6]-4:P[3x6]-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-1:	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	P[3x6](O[6,6]C[6,6])3(O)	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O){3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	P[3x6](O[6,6]C[6,6])3(O){1|C<4>,6|H<1>}	114.0826	0.516	9	114.3898	0.400	18	114.3898	0.400	18	114.4589	0.379	21	114.4589	0.379	21	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6,6]	C[6,6]	P[3x6]	4:4:	4:2:1:1:	2:2:2:1:	C[6,6]-4:P[3x6]-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:S-1:	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2S)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	P[3x6](O[6,6]C[6,6])3(S)	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2S){3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|S<1>,2|O<2>,4|H<1>}	P[3x6](O[6,6]C[6,6])3(S){1|C<4>,6|H<1>}	114.8733	0.299	3	114.8733	0.089	3	114.8733	0.089	3	114.4589	0.379	21	114.4589	0.379	21	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6,6]	P[6]	4:4:	4:4:2:1:	2:2:2:1:	C[6,6]-4:P[6]-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6,6]C[6,6]C[6]H)(P[6]O[6]OO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	P[6](O[6]C[6,6])(O[6]C[6])(OC)(O)	O[6](C[6,6]C[6,6]C[6]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|H<1>}	P[6](O[6]C[6,6])(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6,6]HH){2|P<4>,3|C<4>}	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2{2|N<2>,3|O<2>,6|H<1>}	P[6,6](N[6]P[6])2(O[6]C[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	115.5498	1.198	12	116.3090	3.274	16	116.3090	3.274	16	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6,6]HH){2|P<4>,3|C<4>}	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2{2|N<2>,3|O<2>,6|H<1>}	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	118.5867	1.373	4	116.3090	3.274	16	116.3090	3.274	16	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	117.7107	2.203	3	117.6847	2.145	8	117.9327	1.942	10	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	118.5027	0.162	3	117.6847	2.145	8	117.9327	1.942	10	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	116.4190	0.209	2	117.6847	2.145	8	117.9327	1.942	10	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	118.9245	0.004	2	118.9245	0.000	2	117.9327	1.942	10	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,2|P<4>}	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	118.6160	0.791	2	118.6160	0.625	2	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]P[6])(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){2|P<4>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]P[6])(O[6]C[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	117.3840	1.022	2	117.3840	1.045	2	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){2|P<4>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	115.6350	0.277	2	116.5991	0.647	8	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){2|P<4>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	116.9205	0.629	6	116.5991	0.647	8	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|H<1>,2|C<4>,2|P<4>}	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	114.9995	2.075	2	114.9995	4.307	2	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])2(O[6]C[6])2{1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	115.3274	0.788	8	115.3274	0.620	8	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	118.2029	0.677	10	118.2029	0.458	10	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	118.3920	0.387	2	118.3920	0.150	2	116.9478	2.260	34	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	P[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]P[6]HH)	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6])2(O[6]C[6])2	O[6](P[6,6]N[6]2O[6])(C[6]P[6]HH){1|S<1>,2|C<4>,2|P<4>}	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6])2(O[6]C[6])2{1|N<2>,1|P<4>,4|F<1>,4|H<1>}	118.6805	1.422	2	118.6805	2.022	2	118.6805	2.022	2	116.9977	2.709	62	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.7445	1.667	2	116.6423	1.920	18	116.6423	1.920	18	116.6423	1.920	18	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	117.2828	1.732	6	116.6423	1.920	18	116.6423	1.920	18	116.6423	1.920	18	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,3|O<2>,4|H<1>}	116.3749	1.195	8	116.6423	1.920	18	116.6423	1.920	18	116.6423	1.920	18	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|O<2>,2|N<2>,2|S<2>,4|H<1>}	115.6885	0.033	2	116.6423	1.920	18	116.6423	1.920	18	116.6423	1.920	18	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6]){1|C<4>,1|N<2>,4|H<1>,4|N<3>}	117.3060	0.000	1	117.3060	0.000	1	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	117.9520	0.000	1	118.6597	9.678	6	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	115.7150	0.000	1	118.6597	9.678	6	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	124.3000	0.000	1	118.6597	9.678	6	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	118.9365	0.889	2	118.6597	9.678	6	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	116.1180	0.000	1	118.6597	9.678	6	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,3|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	124.8000	0.000	1	121.8467	6.542	3	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,3|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){5|Cl<1>,1|C<4>,3|N<2>,4|H<1>}	120.3700	0.000	2	121.8467	6.542	3	119.4804	9.671	10	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<3>,2|H<1>,2|N<2>}	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|O<3>,3|N<2>,4|H<1>}	124.8460	0.000	1	124.8460	0.000	1	124.8460	0.000	1	119.9682	11.321	11	117.2865	4.476	91	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6,6a]HH)(P[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	P[6](O[6]C[6,6a])(O[6]C[6])(OC)(O)	O[6](C[6]C[6,6a]HH)(P[6]O[6]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](O[6]C[6,6a])(O[6]C[6])(OC)(O){2|C<3>,2|H<1>}	116.7570	0.000	1	116.7570	0.000	1	116.7570	0.000	1	116.7570	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:2:4:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-2:S-1:	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S)	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S){1|C<4>,1|H<1>,2|C<3>}	125.8300	0.000	1	125.8300	0.000	1	125.8300	0.000	1	125.8300	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:2:4:1:	3:4:2:1:	P[6]-4:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:1:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:Cl-1:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]ClO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(Cl)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]ClO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	P[6](O[6]C[6])2(Cl)(O){1|C<3>,1|C<4>,3|H<1>}	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(OH)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	P[6](O[6]C[6])2(OH)(O){1|C<3>,1|C<4>,3|H<1>}	117.0030	0.000	1	117.0030	0.000	1	117.3020	0.179	2	117.3020	0.179	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	P[6](O[6]C[6])2(OC)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OC)(O){1|C<3>,1|H<1>,3|C<4>}	117.6010	0.000	1	117.6010	0.000	1	117.3020	0.179	2	117.3020	0.179	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(NCH)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	P[6](O[6]C[6])2(NCH)(O){1|C<3>,1|C<4>,3|H<1>}	120.6010	0.000	1	119.1693	1.628	3	119.2883	2.065	6	119.2309	1.744	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(NCH)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](O[6]C[6])2(NCH)(O){1|C<3>,1|C<4>,3|H<1>}	118.4535	0.426	2	119.1693	1.628	3	119.2883	2.065	6	119.2309	1.744	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(NC[6a]H)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](O[6]C[6])2(NC[6a]H)(O){1|C<3>,1|C<4>,3|H<1>}	118.3385	0.360	2	118.3385	0.130	2	119.2883	2.065	6	119.2309	1.744	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(NHN)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](O[6]C[6])2(NHN)(O){1|C<3>,1|C<4>,3|H<1>}	121.5450	0.000	1	121.5450	0.000	1	119.2883	2.065	6	119.2309	1.744	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:S-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NS)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](O[6]C[6])2(NCH)(S)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NS){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	P[6](O[6]C[6])2(NCH)(S){1|C<3>,1|C<4>,3|H<1>}	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	119.2309	1.744	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	P[6](O[6]C[6])2(CCHO)(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	P[6](O[6]C[6])2(CCHO)(O){1|C<4>,2|C<3>,2|H<1>}	125.6087	1.865	6	125.6087	3.478	6	125.6087	3.478	6	125.6087	3.478	6	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	3:2:2:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]N[5a]O[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O)	O[6](C[6]C[6a]C[6]H)(P[6]N[5a]O[6]O){1|N<2>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.4925	1.216	2	123.4925	1.477	2	123.4925	1.477	2	121.7967	9.366	3	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	3:2:2:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]N[6]O[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](N[6]C[6]2)(O[6]C[6])2(O)	O[6](C[6]C[6a]C[6]H)(P[6]N[6]O[6]O){2|C<3>,5|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](N[6]C[6]2)(O[6]C[6])2(O){1|C<3>,3|C<4>,7|H<1>}	118.4050	0.000	1	118.4050	0.000	1	118.4050	0.000	1	121.7967	9.366	3	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	4:2:1:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]C[6]OO)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	P[6](C[6]N[6]HH)(O[6]C[6])(O)2	O[6](C[6]C[6a]C[6]H)(P[6]C[6]OO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	P[6](C[6]N[6]HH)(O[6]C[6])(O)2{1|C<3>,2|C<4>,2|H<1>}	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](CC[6a]HN)(O[6]C[6])2(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](CC[6a]HN)(O[6]C[6])2(O){1|C<3>,1|C<4>,3|H<1>}	122.6720	0.000	1	122.6720	0.000	1	121.7585	1.669	2	121.7585	1.669	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	3:4:2:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	P[6](CC[6a]HO)(O[6]C[6])2(O)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<3>,1|C<4>,3|H<1>}	120.8450	0.000	1	120.8450	0.000	1	121.7585	1.669	2	121.7585	1.669	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:P[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6]C[5,6]HH)(P[6]O[6]OO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	P[6](O[6]C[5,6])(O[6]C[6])(O)2	O[6](C[6]C[5,6]HH)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	P[6](O[6]C[5,6])(O[6]C[6])(O)2{2|C<4>,3|H<1>}	118.4470	0.932	3	118.4470	0.868	3	118.4470	0.868	3	117.6721	4.047	14	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:Cl-1:O-1:	O[6](C[6]C[6,6]HH)(P[6]O[6]ClO)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	P[6](O[6]C[6])2(Cl)(O)	O[6](C[6]C[6,6]HH)(P[6]O[6]ClO){3|C<4>}	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|Cl<1>,1|O<1>,3|O<2>,6|H<1>}	P[6](O[6]C[6])2(Cl)(O){1|C<4>,4|H<1>}	119.8752	0.981	4	119.8752	0.962	4	119.8752	0.962	4	117.6721	4.047	14	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(O)2	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	P[6](O[6]C[6])2(O)2{1|C<4>,4|H<1>}	116.0020	1.387	2	116.0020	1.925	2	115.7472	0.875	6	117.6721	4.047	14	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	P[6](O[6]C[6])2(O)2	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	P[6](O[6]C[6])2(O)2{1|C<4>,4|H<1>}	115.6197	0.867	4	115.6197	0.751	4	115.7472	0.875	6	117.6721	4.047	14	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:1:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:Cl-1:O-1:	O[6](P[6]O[6]ClO)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(Cl)(O)	O[6](P[6]O[6]ClO)(C[6]C[6]HH){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	P[6](O[6]C[6])2(Cl)(O){1|C<3>,1|C<4>,3|H<1>}	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	117.6721	4.047	14	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6,6]HH)(P[6]O[6]OO)	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2	P[6](O[6]C[6,6])(O[6]C[6])(OC)(O)	O[6](C[6]C[6,6]HH)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	P[6](O[6]C[6,6])(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	117.3520	0.000	1	117.3520	0.000	1	117.3520	0.000	1	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OC[6a])(O)	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|Br<1>,2|C<4>}	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	118.9725	0.202	2	118.9725	0.041	2	118.2492	1.083	21	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OC)(O)	O[6](C[6]C[6]HH)(P[6]O[6]OO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OC)(O){1|C<4>,4|H<1>}	117.3465	0.264	2	117.3465	0.070	2	118.2492	1.083	21	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OC[6a])(O)	O[6](C[6]C[6]HH)(P[6]O[6]OO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	118.5279	0.944	14	118.5279	0.891	14	118.2492	1.083	21	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]OO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	P[6](O[6]C[6])2(OH)(O){1|C<3>,1|C<4>,3|H<1>}	116.3070	0.000	1	116.3070	0.000	1	118.2492	1.083	21	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]OO)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OH)(O){1|C<4>,4|H<1>}	117.4490	1.072	2	117.4490	1.149	2	118.2492	1.083	21	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:S-1:	O[6](C[6]C[6]HH)(P[6]O[6]OS)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OC[6a])(S)	O[6](C[6]C[6]HH)(P[6]O[6]OS){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|S<1>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OC[6a])(S){1|C<4>,4|H<1>}	118.7180	3.831	2	118.7180	14.677	2	118.7180	14.677	2	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:S-2:S-1:	O[6](C[6]C[6]HH)(P[6]O[6]SS)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(SH)(S)	O[6](C[6]C[6]HH)(P[6]O[6]SS){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<1>,1|S<2>}	P[6](O[6]C[6])2(SH)(S){2|C<4>,3|H<1>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-2:Se-1:	O[6](P[6]O[6]SeN)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NC)(Se)	O[6](P[6]O[6]SeN)(C[6]C[6]HH){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<2>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(NC)(Se){1|C<4>,4|H<1>}	118.4620	0.249	2	118.4620	0.062	2	118.4620	0.062	2	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:Se-1:	O[6](P[6]O[6]SeO)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(OC)(Se)	O[6](P[6]O[6]SeO)(C[6]C[6]HH){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,2|H<1>,2|O<2>}	P[6](O[6]C[6])2(OC)(Se){1|C<4>,4|H<1>}	118.6727	1.037	6	118.6727	1.076	6	118.6727	1.076	6	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:Se-2:O-1:	O[6](P[6]O[6]SeO)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(SeC)(O)	O[6](P[6]O[6]SeO)(C[6]C[6]HH){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(SeC)(O){1|C<4>,4|H<1>}	118.5955	0.439	2	118.5955	0.193	2	118.8113	0.266	4	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:Se-2:O-1:	O[6](P[6]O[6]SeO)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	P[6](O[6]C[6])2(SeC[6a])(O)	O[6](P[6]O[6]SeO)(C[6]C[6]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(SeC[6a])(O){1|C<4>,4|H<1>}	119.0270	0.646	2	119.0270	0.418	2	118.8113	0.266	4	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:Se-2:S-1:	O[6](P[6]O[6]SeS)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	P[6](O[6]C[6])2(SeC[6a])(S)	O[6](P[6]O[6]SeS)(C[6]C[6]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<2>,1|S<1>,2|H<1>}	P[6](O[6]C[6])2(SeC[6a])(S){1|C<4>,4|H<1>}	119.4081	0.995	16	119.4081	0.989	16	119.4081	0.989	16	118.7036	1.379	53	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[5,6]HH)(P[6]O[6]NO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	P[6](O[6]C[5,6])(O[6]C[6])(NCH)(O)	O[6](C[6]C[5,6]HH)(P[6]O[6]NO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	P[6](O[6]C[5,6])(O[6]C[6])(NCH)(O){2|C<4>,3|H<1>}	122.6470	0.000	1	122.6470	0.000	1	121.6460	2.004	2	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[5,6]HH)(P[6]O[6]NO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	P[6](O[6]C[5,6])(O[6]C[6])(NC[6a]H)(O)	O[6](C[6]C[5,6]HH)(P[6]O[6]NO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	P[6](O[6]C[5,6])(O[6]C[6])(NC[6a]H)(O){2|C<4>,3|H<1>}	120.6450	0.000	1	120.6450	0.000	1	121.6460	2.004	2	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CCH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CCH)(O){1|C<4>,4|H<1>}	118.2969	1.006	12	118.2969	1.011	12	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[4]C)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[4]C)(O){1|C<4>,4|H<1>}	119.6135	0.209	2	119.6135	0.044	2	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[5]H)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[5]H)(O){1|C<4>,4|H<1>}	118.2255	1.718	2	118.2255	2.950	2	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[6]2)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[6]2)(O){1|C<4>,4|H<1>}	119.4235	2.040	2	119.4235	4.162	2	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[6]C)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[6]C)(O){1|C<4>,4|H<1>}	117.1525	2.203	8	117.1525	4.853	8	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[6]H)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[6]H)(O){1|C<4>,4|H<1>}	119.1900	1.593	4	119.1900	2.537	4	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[6a]C)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[6a]C)(O){1|C<4>,4|H<1>}	119.2150	2.052	8	119.2150	4.209	8	118.4681	3.098	38	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]NO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NCC)(O)	O[6](C[6]C[6]HH)(P[6]O[6]NO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	P[6](O[6]C[6])2(NCC)(O){2|C<4>,3|H<1>}	118.0750	0.000	1	118.0750	0.000	1	116.3703	4.934	7	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]NO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NCH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]NO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	P[6](O[6]C[6])2(NCH)(O){1|C<3>,1|C<4>,3|H<1>}	114.6723	0.907	3	114.6723	0.822	3	116.3703	4.934	7	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]NO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NC[6a]H)(O)	O[6](C[6]C[6]HH)(P[6]O[6]NO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	P[6](O[6]C[6])2(NC[6a]H)(O){1|C<3>,1|C<4>,3|H<1>}	116.2045	1.583	2	116.2045	2.507	2	116.3703	4.934	7	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]NO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NHN)(O)	O[6](C[6]C[6]HH)(P[6]O[6]NO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	P[6](O[6]C[6])2(NHN)(O){1|C<3>,1|C<4>,3|H<1>}	120.0910	0.000	1	120.0910	0.000	1	116.3703	4.934	7	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:S-1:	O[6](C[6]C[6]HH)(P[6]O[6]NS)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NCH)(S)	O[6](C[6]C[6]HH)(P[6]O[6]NS){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>}	P[6](O[6]C[6])2(NCH)(S){1|C<3>,1|C<4>,3|H<1>}	115.5330	0.000	1	116.8664	0.992	5	116.8664	0.992	5	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:S-1:	O[6](C[6]C[6]HH)(P[6]O[6]NS)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NCH)(S)	O[6](C[6]C[6]HH)(P[6]O[6]NS){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	P[6](O[6]C[6])2(NCH)(S){1|C<4>,4|H<1>}	117.1997	0.763	4	116.8664	0.992	5	116.8664	0.992	5	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:3:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:N-3:Se-1:	O[6](P[6]O[6]SeN)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(NHH)(Se)	O[6](P[6]O[6]SeN)(C[6]C[6]HH){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<3>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(NHH)(Se){1|C<4>,4|H<1>}	116.6010	0.651	2	116.6010	0.423	2	116.6010	0.423	2	118.0964	4.037	54	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6,6]HH)(P[6]O[6]CO)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CCCO)(O)	O[6](C[6]C[6,6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|C<4>,1|O<1>,3|O<2>,6|H<1>}	P[6](O[6]C[6])2(CCCO)(O){1|C<4>,4|H<1>}	121.9751	1.339	8	121.9751	1.793	8	120.8034	7.543	10	120.8032	3.902	28	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6,6]HH)(P[6]O[6]CO)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CH3)(O)	O[6](C[6]C[6,6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|C<4>,1|O<1>,3|O<2>,6|H<1>}	P[6](O[6]C[6])2(CH3)(O){1|C<4>,4|H<1>}	116.1165	0.643	2	116.1165	0.413	2	120.8034	7.543	10	120.8032	3.902	28	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CCHH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CCHH)(O){1|C<4>,4|H<1>}	120.4605	0.968	2	120.4605	0.937	2	120.8031	2.204	18	120.8032	3.902	28	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CC[5]HH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CC[5]HH)(O){1|C<4>,4|H<1>}	119.9495	0.806	4	119.9495	0.650	4	120.8031	2.204	18	120.8032	3.902	28	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CP[6]CH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CP[6]CH)(O){1|C<4>,4|H<1>}	122.0969	1.049	8	122.0969	1.100	8	120.8031	2.204	18	120.8032	3.902	28	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](O[6]C[6])2(CP[6]HH)(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(CP[6]HH)(O){1|C<4>,4|H<1>}	119.2403	0.435	4	119.2403	0.189	4	120.8031	2.204	18	120.8032	3.902	28	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-3:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]C[5])(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]C[5])(O[6]C[6])2(O){1|C<4>,4|H<1>}	119.9735	2.352	4	119.9735	5.531	4	118.6881	4.372	20	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-3:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]C[6])(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]C[6])(O[6]C[6])2(O){1|C<4>,4|H<1>}	118.3667	1.970	16	118.3667	3.881	16	118.6881	4.372	20	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[5a]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[5a]C[5a,6a]C[5a])(O[6]C[6])2(O)	O[6](P[6]C[5a]O[6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[5a]C[5a,6a]C[5a])(O[6]C[6])2(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.1260	0.873	2	119.1260	0.761	2	119.1260	0.761	2	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[6]C[6]2)(O[6]C[6])2(O)	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	118.6280	0.648	6	118.7657	0.952	8	118.7657	0.952	8	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[6]C[6]2)(O[6]C[6])2(O)	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.1790	2.027	2	118.7657	0.952	8	118.7657	0.952	8	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]N[5a]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O)	O[6](P[6]N[5a]O[6]O)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.6055	0.486	2	121.6055	0.236	2	121.6055	0.236	2	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]N[6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](N[6]C[6]2)(O[6]C[6])2(O)	O[6](P[6]N[6]O[6]O)(C[6]C[6]HH){5|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	P[6](N[6]C[6]2)(O[6]C[6])2(O){1|C<3>,3|C<4>,7|H<1>}	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O[6]-2:S-1:	O[6](P[6]N[6]O[6]S)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](N[6]C[6]2)(O[6]C[6])2(S)	O[6](P[6]N[6]O[6]S)(C[6]C[6]HH){5|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	P[6](N[6]C[6]2)(O[6]C[6])2(S){3|C<4>,8|H<1>}	117.9895	0.491	2	117.9895	0.242	2	117.9895	0.242	2	118.7855	3.395	35	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:2:2:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:N-2:N-2:	O[6](C[6]C[6]HH)(P[6]N[6]NN)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	P[6](N[6]C[6]C)(O[6]C[6])(NP)2	O[6](C[6]C[6]HH)(P[6]N[6]NN){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6](N[6]C[6]C)(O[6]C[6])(NP)2{1|C<4>,4|H<1>}	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:C-3:O-1:	O[6](C[6]C[6]HH)(P[6]N[6]CO)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	P[6](N[6]C[6]H)(O[6]C[6])(CCH)(O)	O[6](C[6]C[6]HH)(P[6]N[6]CO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	P[6](N[6]C[6]H)(O[6]C[6])(CCH)(O){1|C<4>,4|H<1>}	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	117.8930	0.378	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:N-3:O-1:	O[6](C[6]C[6]HH)(P[6]N[6]NO)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O)	O[6](C[6]C[6]HH)(P[6]N[6]NO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|N<3>}	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O){1|C<4>,4|H<1>}	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.8930	0.378	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	3:4:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH)	C[6](C[6]N[6]CC)(O[6]P[6])(H)2	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	117.1633	1.705	3	117.1633	2.908	3	117.1633	2.908	3	117.1633	2.908	3	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:O-1:	O[6](C[6]C[6]HH)(P[6]C[6]HO)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O)	O[6](C[6]C[6]HH)(P[6]C[6]HO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O){1|C<4>,2|C<3>,3|H<1>}	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	116.4997	0.161	3	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(P[6]C[6]OO)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	P[6](C[6]C[6]FH)(O[6]C[6])(O)2	O[6](C[6]C[6]HH)(P[6]C[6]OO){1|C<4>,1|F<1>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|C<4>,2|H<1>,2|O<1>}	P[6](C[6]C[6]FH)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	116.2680	0.000	2	116.2680	0.000	2	116.2680	0.000	2	116.4997	0.161	3	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[5a]HH)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[5a]HH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	120.2567	1.223	6	120.2567	1.495	6	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]2C)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]2C)(O[6]C[6])2(O){1|C<4>,4|H<1>}	124.9290	0.709	2	124.9290	0.502	2	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]2H)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]2H)(O[6]C[6])2(O){1|C<4>,4|H<1>}	120.4769	1.932	8	120.4769	3.734	8	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]CH)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]CH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	119.6832	1.540	6	119.6832	2.370	6	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]CO)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]CO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	122.5560	1.328	2	122.5560	1.763	2	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]HH)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]HH)(O[6]C[6])2(O){1|C<4>,4|H<1>}	119.2597	0.998	6	119.2597	0.996	6	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]HN)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	P[6](CC[6a]HN)(O[6]C[6])2(O){1|C<3>,1|C<4>,3|H<1>}	123.6720	0.000	1	121.0563	5.156	3	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]HN)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]HN)(O[6]C[6])2(O){1|C<4>,4|H<1>}	119.7485	0.221	2	121.0563	5.156	3	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]HO)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<3>,1|C<4>,3|H<1>}	120.4640	0.000	1	120.8967	4.829	9	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(P[6]O[6]CO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](CC[6a]HO)(O[6]C[6])2(O)	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](CC[6a]HO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	120.9507	2.343	8	120.8967	4.829	9	120.6005	4.021	42	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]C[6]OO)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	O[6](C[6]C[6]HH)(P[6]C[6]OO){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	114.1970	0.000	1	114.1970	0.000	1	116.7936	3.058	5	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	O[6](C[6]C[6]HH)(P[6]C[6]OO)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O)	O[6](C[6]C[6]HH)(P[6]C[6]OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O){1|C<4>,2|H<1>}	117.4427	1.126	4	117.4427	1.269	4	116.7936	3.058	5	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,5]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[4,5]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[4,5]C[4,4,5]C[5,6a]C[4,5])(O[6]C[6])2(O)	O[6](P[6]C[4,5]O[6]O)(C[6]C[6]HH){1|C<3>,5|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[4,5]C[4,4,5]C[5,6a]C[4,5])(O[6]C[6])2(O){1|P<4>,3|C<3>,4|C<4>,4|H<1>}	113.6745	1.195	4	113.6745	1.427	4	113.6745	1.427	4	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[4]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[4]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[4]C[4]2H)(O[6]C[6])2(O)	O[6](P[6]C[4]O[6]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[4]C[4]2H)(O[6]C[6])2(O){1|C<4>,3|C<3>,4|H<1>}	119.1425	0.528	2	119.1425	0.279	2	119.1425	0.279	2	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[5,6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O)	O[6](P[6]C[5,6]O[6]O)(C[6]C[6]HH){2|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	125.6532	1.910	6	125.6532	3.648	6	125.6532	3.648	6	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[5]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[5]C[5,6a]C[5]H)(O[6]C[6])2(O)	O[6](P[6]C[5]O[6]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[5]C[5,6a]C[5]H)(O[6]C[6])2(O){1|C<4>,4|C<3>,4|H<1>}	120.5875	0.975	2	120.5875	0.951	2	120.5875	0.951	2	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6,6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[6,6]C[3x6]C[6,6]C[6a])(O[6]C[6])2(O)	O[6](P[6]C[6,6]O[6]O)(C[6]C[6]HH){2|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6,6]C[3x6]C[6,6]C[6a])(O[6]C[6])2(O){2|C<4>,5|C<3>,5|H<1>}	114.8385	1.182	2	114.8385	1.396	2	114.8385	1.396	2	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[6]C[6]2C)(O[6]C[6])2(O)	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){1|C<3>,5|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6]C[6]2C)(O[6]C[6])2(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	123.1650	0.058	2	123.1650	0.003	2	124.0648	4.047	4	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	P[6](C[6]C[6a]C[6]2)(O[6]C[6])2(O)	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){2|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6]C[6a]C[6]2)(O[6]C[6])2(O){1|C<4>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	124.9645	2.983	2	124.9645	8.900	2	124.0648	4.047	4	120.3463	11.306	67	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:1:1:	4:3:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-1:	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O)	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O){1|C<4>,4|C<3>,5|H<1>}	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:3:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]CH)(P[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	P[6](O[6]C[6])2(OC)(O)	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	P[6](O[6]C[6])2(OC)(O){1|C<4>,2|C<3>,2|H<1>}	117.8430	0.676	2	117.8430	0.457	2	117.8430	0.457	2	117.8430	0.457	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:3:1:	2:2:4:2:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	O[6]-2:O[6]-2:B-4:O-2:	O[6](C[6]C[6]CH)(P[6]O[6]BO)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	P[6](O[6]C[6])2(BH3)(OC)	O[6](C[6]C[6]CH)(P[6]O[6]BO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	P[6](O[6]C[6])2(BH3)(OC){1|C<4>,2|C<3>,2|H<1>}	118.2565	0.492	4	118.2565	0.242	4	118.2565	0.242	4	118.2565	0.242	4	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:N-2:S-1:	O[6](C[6]C[6]CH)(P[6]O[6]NS)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	P[6](O[6]C[6])2(NC)(S)	O[6](C[6]C[6]CH)(P[6]O[6]NS){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	P[6](O[6]C[6])2(NC)(S){2|H<1>,3|C<4>}	121.4655	1.281	2	121.4655	1.640	2	121.4655	1.640	2	121.4706	3.707	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]CH)(P[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	P[6](O[6]C[6])2(OC)(O)	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	P[6](O[6]C[6])2(OC)(O){2|H<1>,3|C<4>}	121.9278	2.342	4	121.9278	5.486	4	121.9278	5.486	4	121.4706	3.707	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:S-2:S-1:	O[6](C[6]C[6]CH)(P[6]O[6]SS)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	P[6](O[6]C[6])2(SH)(S)	O[6](C[6]C[6]CH)(P[6]O[6]SS){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|O<2>,1|S<1>,1|S<2>,2|H<1>}	P[6](O[6]C[6])2(SH)(S){2|C<4>,3|H<1>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	121.4706	3.707	7	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[6]CH)(P[6]O[6]NO)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	P[6](O[6]C[6])2(NCC)(O)	O[6](C[6]C[6]CH)(P[6]O[6]NO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](O[6]C[6])2(NCC)(O){2|C<4>,3|H<1>}	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:O[6]-2:O-1:	O[6](P[6]C[6]O[6]O)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	P[6](C[6]C[6]2)(O[6]C[6])2(O)	O[6](P[6]C[6]O[6]O)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|O<2>,4|H<1>,5|C<4>}	122.0250	3.356	2	122.0250	11.262	2	122.0250	11.262	2	122.0250	11.262	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	4:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-2:O-1:	O[6](C[6]C[6]CH)(P[6]C[6]OO)	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	O[6](C[6]C[6]CH)(P[6]C[6]OO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){1|S<4>,2|C<4>,2|H<1>}	119.3730	0.000	1	119.3730	0.000	1	119.3730	0.000	1	119.3730	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	4:2:4:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:B-4:O-1:	O[6](C[6]C[6]CH)(P[6]C[6]BO)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O)	O[6](C[6]C[6]CH)(P[6]C[6]BO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O){1|O<2>,2|C<4>,2|H<1>}	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:1:	4:2:4:2:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:B-4:O-2:	O[6](C[6]C[6]CH)(P[6]C[6]BO)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	O[6](C[6]C[6]CH)(P[6]C[6]BO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	119.3640	0.679	2	119.3640	0.461	2	119.3640	0.461	2	119.3640	0.461	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:2:4:4:	2:2:2:1:	C[6]-4:P[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[6]CC)(P[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2	P[6](O[6]C[6])2(OC)(O)	O[6](C[6]C[6]CC)(P[6]O[6]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	P[6](O[6]C[6])2(OC)(O){1|C<3>,1|H<1>,3|C<4>}	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	124.5490	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:3:2:1:	2:2:2:1:	C[6]-4:P[6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]OO)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(OC[6a])(O)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(OC[6a])(O){1|C<3>,2|C<4>,2|H<1>}	118.2435	1.856	2	118.2435	3.445	2	118.2435	3.445	2	118.2435	3.445	2	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:3:2:1:	2:2:3:1:	C[6]-4:P[6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]NO)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(NCC)(O)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]NO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(NCC)(O){1|C<3>,2|C<4>,2|H<1>}	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:	4:3:2:1:	2:2:4:1:	C[6]-4:P[6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]CO)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(CCHH)(O)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]CO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(CCHH)(O){1|C<3>,2|C<4>,2|H<1>}	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	119.3287	7.160	311	118.6123	7.929	427
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	3:4:	4:3:2:1:	3:4:2:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6a]-3:C[3x6]-4:O[6,6]-2:	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){2|C<4>,3|C<3>,4|H<1>}	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	3:4:	4:3:2:1:	4:2:3:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C[6a]-3:	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	110.8865	0.704	4	110.8865	0.495	4	110.8865	0.495	4	110.8865	0.495	4	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	3:3:2:1:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.3410	0.000	1	111.3410	0.000	1	111.0077	0.211	3	111.0077	0.211	3	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	3:3:2:1:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<4>,2|C<3>,3|H<1>}	111.1990	0.000	1	111.1990	0.000	1	111.0077	0.211	3	111.0077	0.211	3	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	3:3:2:1:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){2|C<3>,2|H<1>,2|O<2>}	110.4830	0.000	1	110.4830	0.000	1	111.0077	0.211	3	111.0077	0.211	3	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	3:3:2:4:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.2770	0.000	1	112.2770	0.000	1	112.2770	0.000	1	112.2770	0.000	1	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	4:3:2:1:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	110.9009	0.690	10	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6,6]	N[6]	4:3:	3:4:2:1:	4:3:2:	C[6,6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	107.8745	7.916	2	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6,6]	N[6]	4:3:	4:3:2:1:	4:2:3:	C[6,6]-4:N[6]-3:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	107.8745	7.916	2	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	3:2:3:2:	4:3:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-3:O-2:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CO){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	3:2:4:1:	3:4:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	3:2:4:3:	3:4:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-3:	C[6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	3:2:4:4:	3:2:1:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[6,6]-3:O[6]-2:O-1:	O[6](N[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](N[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	4:2:1:1:	4:3:2:	N[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	107.5700	0.742	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	4:2:1:1:	4:3:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]N[6])(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(H)2{1|C<4>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	107.5700	0.742	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	4:2:3:1:	4:3:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	3:4:	4:2:4:1:	3:4:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:P-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]HP)	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HP){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:2:1:1:	4:2:3:	C[6]-4:N[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6]C[6]C)(O[6]N[6])(H)2	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]N[6])(H)2{1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	107.5580	0.000	1	107.5580	0.000	1	107.5580	0.000	1	107.5580	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:2:4:1:	3:3:2:	C[6]-4:N[6]-3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:2:4:1:	4:2:3:	C[6]-4:N[6]-3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]CH)(N[6]C[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:2:4:4:	4:2:3:	C[6]-4:N[6]-3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]CC)(N[6]C[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2	N[6](C[6]C[6]HO)(O[6]C[6])(CCO)	O[6](C[6]C[6]CC)(N[6]C[6]C){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2{1|C<4>,2|C<3>}	N[6](C[6]C[6]HO)(O[6]C[6])(CCO){2|C<3>,2|C<4>}	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:2:4:4:	4:3:2:	C[6]-4:N[6]-3:	C[5a,6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:3:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	106.8020	0.000	1	107.6705	1.509	2	107.6705	1.509	2	107.6705	1.509	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:3:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	108.5390	0.000	1	107.6705	1.509	2	107.6705	1.509	2	107.6705	1.509	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HO)(N[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(N[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.7310	0.000	1	113.7310	0.000	1	114.8920	2.696	2	114.8920	2.696	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]HO)(N[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(N[6]C[6]O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.0530	0.000	1	116.0530	0.000	1	114.8920	2.696	2	114.8920	2.696	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	4:2:3:1:	3:2:1:	C[6]-4:N[6]-3:	C[3x6]-4:O[6]-2:C-3:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[3x6]CH)(N[6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	N[6](C[6]C[4x6]H)(O[6]C[6])(O)	O[6](C[6]C[3x6]CH)(N[6]C[6]O){1|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[4x6]H)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	115.6975	1.327	2	115.6975	1.762	2	115.6975	1.762	2	115.6975	1.762	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	4:2:4:2:	3:2:1:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:O[6]-2:O-1:	O[6](C[6]C[6]CO)(N[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CO)(N[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.8910	0.000	2	114.8910	0.000	2	114.8910	0.000	2	114.8910	0.000	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP2_SP3	O[6]	C[6]	N[6]	4:3:	4:2:4:2:	3:2:2:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:O[6]-2:O-2:	O[6](C[6]C[6]CO)(N[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	O[6](C[6]C[6]CO)(N[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.4320	0.000	2	112.4320	0.000	2	112.4320	0.000	2	112.4320	0.000	2	111.5923	13.665	23	111.1823	10.038	35
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	3:4:	4:3:2:1:	3:4:2:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6a]-3:C[3x6]-4:O[6,6]-2:	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<4>,4|C<3>,4|H<1>}	110.2670	0.090	4	110.2670	0.008	4	110.2670	0.008	4	110.2670	0.008	4	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	3:4:	4:3:2:1:	4:2:3:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C[6a]-3:	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	111.3205	0.430	4	111.3205	0.185	4	111.3205	0.185	4	111.3205	0.185	4	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	3:4:	4:3:2:1:	5:4:2:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|C<4>,4|B<6>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,1|C<5>,5|B<6>,8|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	3:4:	4:3:2:4:	5:4:2:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C){1|C<3>,2|C<4>,3|H<1>,4|B<6>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6]){1|C<3>,1|C<5>,2|C<4>,5|B<6>,7|H<1>}	114.7963	0.158	3	114.7963	0.025	3	114.7963	0.025	3	114.7963	0.025	3	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	3:3:2:4:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C){1|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO){1|C<4>,4|C<3>}	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	3:4:2:4:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	4:3:2:1:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	111.2463	0.647	3	111.2463	0.418	3	110.8455	0.922	4	110.8455	0.922	4	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6,6]	C[3x6]	N[6,6]	4:3:	4:3:2:1:	4:2:3:	C[3x6]-4:N[6,6]-3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<3>,1|C<4>,4|H<1>}	109.6430	0.000	1	109.6430	0.000	1	110.8455	0.922	4	110.8455	0.922	4	111.4626	2.867	18	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6,6]	4:3:	4:4:2:1:	4:2:2:	C[6,6]-4:N[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6]){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	109.8375	1.163	2	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6,6]	4:3:	4:4:2:1:	4:2:3:	C[6,6]-4:N[6,6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	109.8375	1.163	2	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6]	4:3:	3:4:2:1:	3:4:2:	C[6,6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.0258	3.971	5	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6]	4:3:	3:4:2:1:	4:2:1:	C[6,6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	108.0258	3.971	5	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6]	4:3:	3:4:2:1:	4:3:2:	C[6,6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	108.0258	3.971	5	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6]	4:3:	4:4:2:1:	4:2:3:	C[6,6]-4:N[6]-3:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO){1|O<2>,2|C<4>,2|H<1>}	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	108.0258	3.971	5	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6,6]	N[6]	4:3:	4:4:2:3:	4:2:3:	C[6,6]-4:N[6]-3:	C[3,6,6]-4:C[6]-4:O[6]-2:C-3:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO)	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO)	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.0258	3.971	5	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	2:3:4:4:	4:3:2:	N[6,6]-3:C[6]-4:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	3:4:2:1:	4:2:2:	N[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	107.4180	0.000	1	107.4180	0.000	1	110.5249	27.340	9	110.5249	27.340	9	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	3:4:2:1:	4:2:2:	N[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|C<4>,3|H<1>,5|C<3>}	108.2037	4.858	3	110.9133	29.694	8	110.5249	27.340	9	110.5249	27.340	9	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	3:4:2:1:	4:2:2:	N[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|H<1>,4|C<3>,4|C<4>}	107.7600	0.000	1	110.9133	29.694	8	110.5249	27.340	9	110.5249	27.340	9	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	3:4:2:1:	4:2:2:	N[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{3|C<4>,3|H<1>,4|C<3>}	113.9890	0.000	1	110.9133	29.694	8	110.5249	27.340	9	110.5249	27.340	9	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	3:4:2:1:	4:2:2:	N[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|C<4>,3|H<1>,5|C<3>}	113.6487	6.956	3	110.9133	29.694	8	110.5249	27.340	9	110.5249	27.340	9	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	4:2:4:1:	4:2:2:	N[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH){3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{3|C<4>,3|H<1>,4|C<3>}	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6,6]	3:4:	4:2:4:4:	4:2:2:	N[6,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:O[6]-2:O[6]-2:	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC){3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|H<1>,4|C<3>,4|C<4>}	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	110.0713	21.646	12	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	3:2:1:1:	3:4:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]H)(O[6]N[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){4|C<3>,4|H<1>}	105.9802	0.610	5	105.9802	0.372	5	105.9802	0.372	5	105.9802	0.372	5	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]O)(O[6]N[6])(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]O)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	3:2:3:1:	3:4:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	3:2:4:1:	3:4:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	3:2:4:4:	4:3:2:	N[6]-3:C[6]-4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	4:2:1:1:	4:3:2:	N[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	111.5690	0.006	2	111.5690	0.000	2	109.6240	5.065	4	109.0328	5.546	5	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	4:2:1:1:	4:3:2:	N[6]-3:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	107.6790	0.252	2	107.6790	0.063	2	109.6240	5.065	4	109.0328	5.546	5	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	4:2:1:1:	4:3:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]N[6])(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(H)2{1|C<4>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	109.0328	5.546	5	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	4:2:3:1:	4:3:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	105.1740	0.000	1	105.1740	0.000	1	105.1740	0.000	1	105.1740	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	4:2:3:3:	4:3:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-3:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)	C[6](C[6]C[5,6]HH)(O[6]N[6])(COO)2	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]N[6])(COO)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	106.1745	1.388	2	106.1745	1.927	2	106.1745	1.927	2	106.1745	1.927	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	3:4:	4:2:4:4:	4:3:2:	N[6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	109.3280	0.000	2	109.3280	0.000	2	109.3280	0.000	2	109.3280	0.000	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:2:1:1:	4:4:2:	C[6]-4:N[6]-3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C-4:O[6]-2:	O[6](C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(H)2	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	113.3180	0.016	2	113.3180	0.000	2	113.3180	0.000	2	113.3180	0.000	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:2:3:1:	4:2:3:	C[6]-4:N[6]-3:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]HN)(N[6]C[6]C)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	O[6](C[6]C[6]HN)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|N<3>,2|H<1>}	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:2:4:4:	4:3:2:	C[6]-4:N[6]-3:	C[5a,6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:3:2:1:	3:4:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:3:2:1:	4:3:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:3:2:1:	4:4:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C-4:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:2:4:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	112.9080	0.000	1	112.9080	0.000	1	109.9705	13.151	4	109.9705	13.151	4	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:2:4:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	113.2170	0.000	1	113.2170	0.000	1	109.9705	13.151	4	109.9705	13.151	4	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:2:4:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	106.8785	1.078	2	106.8785	1.163	2	109.9705	13.151	4	109.9705	13.151	4	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:3:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	106.5280	0.301	2	106.5280	0.091	2	106.5280	0.091	2	106.5280	0.091	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	3:4:2:1:	4:4:2:	C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	107.0215	1.102	2	107.0215	1.215	2	107.0215	1.215	2	107.0215	1.215	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:N[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:	O[6](C[6]C[6,6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	N[6](C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6]C[6,6]HH)(N[6]C[6]H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:1:1:	4:2:3:	C[6]-4:N[6]-3:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[4,6]HH)(N[6]C[6]C)	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO)	O[6](C[6]C[4,6]HH)(N[6]C[6]C){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO){2|C<4>,3|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	109.1740	1.100	3	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:1:1:	4:2:3:	C[6]-4:N[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6,6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO)	O[6](C[6]C[6,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	109.1740	1.100	3	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:1:1:	4:2:3:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	109.1740	1.100	3	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:1:1:	4:4:2:	C[6]-4:N[6]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-4:O[6]-2:	O[6](C[6]C[5,6]HH)(N[6]C[6]S)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6])	O[6](C[6]C[5,6]HH)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	110.4235	37.195	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:1:1:	4:4:2:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-4:O[6]-2:	O[6](C[6]C[6]HH)(N[6]C[6]S)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.1110	0.000	1	106.1110	0.000	1	106.1110	0.000	1	110.4235	37.195	2	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:3:1:	4:4:2:	C[6]-4:N[6]-3:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-4:O[6]-2:	O[6](C[6]C[5,6]HN)(N[6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[5,6]HN)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:4:1:	3:4:2:	C[6]-4:N[6]-3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-3:C-4:O[6]-2:	O[6](C[6]C[6,6]CH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6,6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:4:1:	4:2:3:	C[6]-4:N[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-3:	O[6](C[6]C[6]CH)(N[6]C[6]C)	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO){2|H<1>,4|C<4>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:2:4:1:	4:4:2:	C[6]-4:N[6]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O[6]-2:	O[6](C[6]C[5,6]CH)(N[6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[5,6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	856	6:SP3_SP3_SP3	O[6]	C[6]	N[6]	4:3:	4:3:2:1:	4:2:4:	C[6]-4:N[6]-3:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C)	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	108.5239	7.228	45	109.3971	9.238	82
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[3x6]	4:4:	2:3:1:1:	4:4:3:2:	B[3x6]-4:C[6]-4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH){1|C<3>,2|H<1>,6|C<4>}	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	114.3330	0.164	2	114.3330	0.027	2	114.3330	0.027	2	114.3330	0.027	2	114.3330	0.027	2	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6,6]	4:4:	3:2:1:1:	2:2:2:2:	C[6]-4:B[6,6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	B[6,6](O[6]C[6,6a])2(O[6]C[6])2	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	B[6,6](O[6]C[6,6a])2(O[6]C[6])2{4|C<3>,4|H<1>}	112.2325	0.375	4	112.2325	0.140	4	112.2325	0.140	4	112.2325	0.140	4	114.5678	4.982	13	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6,6]	4:4:	4:2:1:1:	2:2:2:2:	B[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](B[6,6]O[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2	B[6,6](O[6]C[6])4	O[6](B[6,6]O[6]3)(C[6]C[6]HH){5|C<4>}	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2{2|H<1>,3|O<2>}	B[6,6](O[6]C[6])4{2|C<4>,8|H<1>}	113.7765	0.416	2	113.7765	0.173	2	113.7765	0.173	2	113.7765	0.173	2	114.5678	4.982	13	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6,6]	4:4:	4:2:1:1:	3:2:2:2:	B[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|N<3>,2|H<1>,2|O<2>}	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	114.5678	4.982	13	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6,6]	4:4:	4:2:1:1:	4:3:2:2:	B[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	116.8852	1.545	4	116.8852	2.388	4	116.8852	2.388	4	116.8852	2.388	4	114.5678	4.982	13	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6,6]	4:4:	4:2:1:1:	4:4:2:2:	B[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	116.1635	0.121	2	116.1635	0.015	2	116.1635	0.015	2	116.1635	0.015	2	114.5678	4.982	13	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	3:2:2:1:	3:3:2:2:	B[6]-4:C[6]-4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO){6|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6]){1|O<2>,5|H<1>,6|C<3>}	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	3:3:2:1:	3:3:3:2:	B[6]-4:C[6]-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,2|H<1>,4|F<1>,5|C<3>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:1:1:	3:3:3:2:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|N<3>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|C<3>,7|H<1>}	113.7550	0.417	2	113.7550	0.174	2	113.7550	0.174	2	113.7550	0.174	2	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:3:1:	3:2:4:4:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-3:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	O[6](B[6]N[6,6]CC)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](B[6]N[6,6]CC)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1	114.5790	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:3:1:	3:3:4:2:	B[6]-4:C[6]-4:	P[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH){1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	120.3480	0.000	1	120.3480	0.000	1	120.3480	0.000	1	120.3480	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:4:1:	3:2:4:4:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	O[6](B[6]C[5,6]CC)(C[6]C[6]CH)	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2	O[6](B[6]C[5,6]CC)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H){2|C<3>,2|C<4>}	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:4:4:	3:3:2:2:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[6]-2:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){2|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<2>,3|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6]){3|C<4>,4|F<1>,5|C<3>}	125.4800	0.547	2	125.4800	0.300	2	125.4800	0.300	2	125.4800	0.300	2	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:4:4:	3:3:4:2:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	125.0715	0.786	2	124.8200	0.485	4	124.8200	0.485	4	124.8200	0.485	4	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:4:4:	3:3:4:2:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	124.0280	0.000	1	124.8200	0.485	4	124.8200	0.485	4	124.8200	0.485	4	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:2:4:4:	3:3:4:2:	B[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,2|C<3>,2|H<1>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	125.1090	0.000	1	124.8200	0.485	4	124.8200	0.485	4	124.8200	0.485	4	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:1:	3:2:4:4:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC)	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	117.5070	0.000	1	117.5070	0.000	1	117.5070	0.000	1	117.7685	3.867	4	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:1:	3:2:4:4:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	117.8557	2.399	3	117.8557	5.755	3	117.8557	5.755	3	117.7685	3.867	4	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:1:	3:3:3:2:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H){2|H<1>,8|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	114.8400	0.000	1	114.8400	0.000	1	114.8400	0.000	1	114.8400	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:1:	3:3:4:2:	B[6]-4:C[6]-4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	117.3070	0.000	1	116.9040	0.325	2	116.9040	0.325	2	116.9040	0.325	2	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:1:	3:3:4:2:	B[6]-4:C[6]-4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	116.5010	0.000	1	116.9040	0.325	2	116.9040	0.325	2	116.9040	0.325	2	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:1:	4:3:3:2:	B[6]-4:C[6]-4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H)	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6])	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H){1|H<1>,2|C<4>,8|C<3>}	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:2:4:	3:2:4:4:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	N[6,6]-3:O[6]-2:C-4:C-4:	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	126.1950	0.000	1	126.1950	0.000	1	126.1950	0.000	1	126.1950	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	874	6:SP3_SP3_SP3	O[6]	C[6]	B[6]	4:4:	4:3:3:2:	3:2:4:4:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:C-4:C-4:	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC){2|H<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6]){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	119.3359	20.215	23	117.4414	19.291	38
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	3:2:2:1:	3:2:	C[6,6]-4:N[6]-2:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	N[6](C[6]C[6,6]N)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6,6]N)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.7240	0.000	1	115.1130	0.313	3	115.1130	0.313	3	115.1130	0.313	3	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	3:2:2:1:	3:2:	C[6,6]-4:N[6]-2:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	N[6](C[6]C[6,6]N)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6]N)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.9900	0.000	1	115.1130	0.313	3	115.1130	0.313	3	115.1130	0.313	3	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	3:2:2:1:	3:2:	C[6,6]-4:N[6]-2:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	N[6](C[6]C[6,6]N)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]N)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.6250	0.000	1	115.1130	0.313	3	115.1130	0.313	3	115.1130	0.313	3	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	3:2:3:2:	3:2:	C[6,6]-4:N[6]-2:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	N[6](C[6]C[6,6]N)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6]N)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.4375	0.501	2	115.4375	0.251	2	115.4375	0.251	2	115.4375	0.251	2	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	4:3:2:2:	2:3:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	N[6](O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH){1|C<4>,2|C<3>,4|H<1>}	N[6](O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	4:4:2:1:	2:3:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H)	N[6](O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	N[6](O[6]C[6,6])(C[6]C[6]C){2|C<4>,3|H<1>}	121.3590	0.000	1	121.3590	0.000	1	120.2540	2.442	2	120.2540	2.442	2	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	4:4:2:1:	2:3:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	N[6](O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	N[6](O[6]C[6,6])(C[6]C[6]C){2|C<4>,3|H<1>}	119.1490	0.000	1	119.1490	0.000	1	120.2540	2.442	2	120.2540	2.442	2	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6,6]	N[6]	4:2:	4:4:3:2:	2:3:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	O[6]-2:C[6]-3:	O[6](C[6,6]C[6,6]C[6]2)(N[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6])	N[6](O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6]){1|C<2>,1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[6](O[6]C[6,6])(C[6]C[6]H){1|C<3>,3|C<4>}	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	117.0668	5.574	9	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	3:2:1:1:	3:2:	C[6]-4:N[6]-2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:	O[6](C[6]C[6]HH)(N[6]C[6])	C[6](C[6]N[6]O)(O[6]N[6])(H)2	N[6](C[6]C[6a]N[6])(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(O[6]N[6])(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6a]N[6])(O[6]C[6]){3|C<3>,3|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	115.9210	2.528	8	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	3:4:2:1:	3:2:	C[6]-4:N[6]-2:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	N[6](C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	N[6](C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.9210	2.528	8	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	3:4:2:2:	3:2:	C[6]-4:N[6]-2:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	N[6](C[6]C[6a]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.7260	0.000	1	115.7260	0.000	1	115.6075	0.028	2	115.6075	0.028	2	115.9210	2.528	8	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	3:4:2:2:	3:2:	C[6]-4:N[6]-2:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-3:O[6]-2:	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	N[6](C[6]C[6a]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.4890	0.000	1	115.4890	0.000	1	115.6075	0.028	2	115.6075	0.028	2	115.9210	2.528	8	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	4:2:1:1:	3:2:	C[6]-4:N[6]-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:O[6]-2:	O[6](C[6]C[6]HH)(N[6]C[6])	C[6](C[6]S[6]HH)(O[6]N[6])(H)2	N[6](C[6]C[5a]S[6])(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]N[6])(H)2{1|C<3>,1|O<1>}	N[6](C[6]C[5a]S[6])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	115.9210	2.528	8	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	4:2:2:1:	3:2:	C[6]-4:N[6]-2:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:O[6]-2:	O[6](C[6]C[6]HO)(N[6]C[6])	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	N[6](C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6]HO)(N[6]C[6]){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.8420	0.000	1	115.8420	0.000	1	115.8420	0.000	1	115.8420	0.000	1	115.9210	2.528	8	116.5276	4.241	17
622	466	914	6:SP2_SP2_SP3	O[6]	C[6]	N[6]	4:2:	4:2:4:2:	3:2:	C[6]-4:N[6]-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:O[6]-2:	O[6](C[6]C[6]CO)(N[6]C[6])	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	N[6](C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6]CO)(N[6]C[6]){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.3350	0.239	2	117.3350	0.057	2	117.3350	0.057	2	117.3350	0.057	2	115.9210	2.528	8	116.5276	4.241	17
622	466	922	6:SP3_SP3_SP3	O[6]	C[3x6]	S[6]	4:3:	4:4:2:1:	2:2:1:	C[3x6]-4:S[6]-3:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]O)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	S[6](O[6]C[3x6])2(O)	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	S[6](O[6]C[3x6])2(O){2|H<1>,3|C<4>}	121.6388	0.346	4	121.6388	0.120	4	121.6388	0.120	4	121.6388	0.120	4	121.6388	0.120	4	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6,6]	S[6]	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:S[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]H)(S[6]O[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	S[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[3x6]C[6]H)(S[6]O[6]O){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	S[6](O[6]C[6,6])2(O){1|H<1>,4|C<4>}	113.1730	2.957	2	113.1730	8.745	2	113.1730	8.745	2	113.1730	8.745	2	117.0985	29.294	4	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6,6]	S[6]	4:3:	4:4:2:4:	2:2:1:	C[6,6]-4:S[6]-3:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	O[6]-2:O[6]-2:O-1:	O[6](C[6,6]C[3x6]C[6]C)(S[6]O[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3)	S[6](O[6]C[6,6])2(O)	O[6](C[6,6]C[3x6]C[6]C)(S[6]O[6]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	S[6](O[6]C[6,6])2(O){1|H<1>,4|C<4>}	121.0240	4.183	2	121.0240	17.500	2	121.0240	17.500	2	121.0240	17.500	2	117.0985	29.294	4	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	3:4:	4:2:1:1:	3:2:1:	S[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	O[6](S[6]N[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](S[6]N[6,6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	114.7130	0.202	2	114.7130	0.041	2	114.8633	0.088	3	114.8633	0.088	3	115.5955	0.941	16	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	3:4:	4:2:1:1:	3:2:1:	S[6]-3:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	O[6](S[6]N[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](S[6]N[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	115.1640	0.000	1	115.1640	0.000	1	114.8633	0.088	3	114.8633	0.088	3	115.5955	0.941	16	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:S[6]-3:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6,6]FH)(S[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	S[6](C[6]C[6,6]HH)(O[6]C[6])(O)	O[6](C[6]C[6,6]FH)(S[6]C[6]O){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	S[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	115.5955	0.941	16	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:S[6]-3:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6,6]HH)(S[6]O[6]O)	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2	S[6](O[6]C[6])2(O)	O[6](C[6]C[6,6]HH)(S[6]O[6]O){3|C<4>}	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2{1|O<1>,3|O<2>,6|H<1>}	S[6](O[6]C[6])2(O){1|C<4>,4|H<1>}	115.7843	0.878	10	115.7843	0.770	10	115.7843	0.770	10	115.8080	0.700	11	115.5955	0.941	16	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:S[6]-3:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]HH)(S[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	S[6](O[6]C[6])2(O)	O[6](C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	S[6](O[6]C[6])2(O){2|C<4>,3|H<1>}	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	115.8080	0.700	11	115.5955	0.941	16	116.8532	9.544	24
622	466	922	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:3:	4:2:4:1:	2:2:1:	C[6]-4:S[6]-3:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[6]C[6]CH)(S[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	S[6](O[6]C[6])2(O)	O[6](C[6]C[6]CH)(S[6]O[6]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H){1|O<1>,1|O<2>,2|H<1>}	S[6](O[6]C[6])2(O){2|C<4>,3|H<1>}	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	115.5955	0.941	16	116.8532	9.544	24
622	466	927	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6a]	3:4:	2:4:1:1:	3:3:2:	B[6,6a]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.9300	0.000	1	119.1365	0.085	2	119.1365	0.085	2	119.1365	0.085	2	119.1365	0.085	2	119.1365	0.085	2
622	466	927	6:SP2_SP2_SP3	O[6]	C[6]	B[6,6a]	3:4:	2:4:1:1:	3:3:2:	B[6,6a]-3:C[6]-4:	O[6]-2:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,2|N<2>,3|C<3>}	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.3430	0.000	1	119.1365	0.085	2	119.1365	0.085	2	119.1365	0.085	2	119.1365	0.085	2	119.1365	0.085	2
622	466	943	6:SP3_SP-NON_SP3	O[6]	C[6]	Ga[6]	4:4:	4:2:1:1:	3:2:4:4:	Ga[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2{1|C<3>,3|C<4>}	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	114.8910	6.278	3	114.8910	6.278	3
622	466	943	6:SP3_SP-NON_SP3	O[6]	C[6]	Ga[6]	4:4:	4:2:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2{1|N<4>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	117.3150	0.000	1	117.3150	0.000	1	116.1810	2.572	2	116.1810	2.572	2	114.8910	6.278	3	114.8910	6.278	3
622	466	943	6:SP3_SP-NON_SP3	O[6]	C[6]	Ga[6]	4:4:	4:2:1:1:	4:2:4:4:	Ga[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2{1|N<4>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	115.0470	0.000	1	115.0470	0.000	1	116.1810	2.572	2	116.1810	2.572	2	114.8910	6.278	3	114.8910	6.278	3
622	466	955	6:SP3_SP3_SP3	O[6]	C[6]	P[5,6]	4:4:	4:2:1:1:	3:3:2:1:	P[5,6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:O[6]-2:O-1:	O[6](P[5,6]N[5,6]N[5]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2	P[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(O)	O[6](P[5,6]N[5,6]N[5]O)(C[6]C[6]HH){2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2{1|O<1>,2|H<1>,2|N<3>}	P[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(O){1|C<4>,8|H<1>}	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1
622	466	961	6:SP3_SP3_SP3	O[6]	C[3x6]	S[6]	4:4:	4:4:2:1:	2:2:1:1:	C[3x6]-4:S[6]-4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]OO)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	S[6](O[6]C[3x6])2(O)2	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	S[6](O[6]C[3x6])2(O)2{2|H<1>,3|C<4>}	118.3630	0.140	2	118.3630	0.020	2	118.3630	0.020	2	118.3630	0.020	2	118.3630	0.020	2	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6,6]	S[6]	4:4:	4:4:2:1:	2:2:4:4:	C[6,6]-4:S[6]-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6,6]C[5,6]C[6,6]H)(S[6]O[6]CC)	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H)	S[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6,6]C[5,6]C[6,6]H)(S[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	S[6](O[6]C[6,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	3:2:1:1:	2:2:1:1:	C[6]-4:S[6]-4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-2:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(S[6]N[6]OO)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	S[6](N[6]C[6])(O[6]C[6])(O)2	O[6](C[6]C[6]HH)(S[6]N[6]OO){2|C<3>}	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	S[6](N[6]C[6])(O[6]C[6])(O)2{2|C<3>,2|H<1>}	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:S[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(S[6]O[6]OO)	C[6](C[6]C[6]CC)(O[6]S[6])(H)2	S[6](O[6]C[6])2(O)2	O[6](C[6]C[6]HH)(S[6]O[6]OO){3|C<4>}	C[6](C[6]C[6]CC)(O[6]S[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	S[6](O[6]C[6])2(O)2{1|C<4>,4|H<1>}	115.2010	0.796	2	115.2010	0.634	2	115.2010	0.634	2	115.2010	0.634	2	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:S[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[6]C[6,6]HH)(S[6]O[6]CC)	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2	S[6](O[6]C[6,6])(O[6]C[6])(CC3)2	O[6](C[6]C[6,6]HH)(S[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	S[6](O[6]C[6,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	128.5710	0.000	1	128.5710	0.000	1	128.5710	0.000	1	128.5710	0.000	1	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	3:2:1:1:	C[6]-4:S[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:O-1:	O[6](C[6]C[5,6,6]HH)(S[6]N[6]OO)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O[6](C[6]C[5,6,6]HH)(S[6]N[6]OO){1|H<1>,3|C<4>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2{1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	114.7675	1.055	11	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	3:2:1:1:	C[6]-4:S[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:O[6]-2:O-1:O-1:	O[6](C[6]C[5,6]HH)(S[6]N[3,6]OO)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2	S[6](N[3,6]C[3,5,6]C[3,5])(O[6]C[6])(O)2	O[6](C[6]C[5,6]HH)(S[6]N[3,6]OO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](N[3,6]C[3,5,6]C[3,5])(O[6]C[6])(O)2{1|C<3>,1|C<4>,4|H<1>}	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	114.7675	1.055	11	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	3:2:1:1:	C[6]-4:S[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(S[6]N[6]OO)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O[6](C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,3|H<1>}	114.2795	1.258	2	114.2795	1.582	2	114.2722	0.530	4	114.7675	1.055	11	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	3:2:1:1:	C[6]-4:S[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:O[6]-2:O-1:O-1:	O[6](C[6]C[6]HH)(S[6]N[6]OO)	C[6](C[6]C[6]HO)(O[6]S[6])(H)2	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O[6](C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](N[6]C[6]H)(O[6]C[6])(O)2{2|C<4>,3|H<1>}	114.2650	0.078	2	114.2650	0.006	2	114.2722	0.530	4	114.7675	1.055	11	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	3:2:1:1:	S[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](S[6]N[5,6]OO)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2	S[6](N[5,6]C[5,5]C[5,6])(O[6]C[6])(O)2	O[6](S[6]N[5,6]OO)(C[6]C[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](N[5,6]C[5,5]C[5,6])(O[6]C[6])(O)2{3|H<1>,5|C<4>}	115.2685	1.039	4	115.2685	1.079	4	115.1708	0.857	5	114.7675	1.055	11	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	3:2:1:1:	S[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:O[6]-2:O-1:O-1:	O[6](S[6]N[5,6]OO)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2	S[6](N[5,6]C[5,6]2)(O[6]C[6])(O)2	O[6](S[6]N[5,6]OO)(C[6]C[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](N[5,6]C[5,6]2)(O[6]C[6])(O)2{3|H<1>,5|C<4>}	114.7800	0.000	1	114.7800	0.000	1	115.1708	0.857	5	114.7675	1.055	11	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:1:1:	4:2:1:1:	S[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:O-1:O-1:	O[6](S[6]C[5,6,6]OO)(C[6]C[6]HH)	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2	S[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(O[6]C[6])(O)2	O[6](S[6]C[5,6,6]OO)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>}	S[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(O[6]C[6])(O)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:4:1:	2:2:1:1:	C[6]-4:S[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[6]C[6]CH)(S[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	S[6](O[6]C[6])2(O)2	O[6](C[6]C[6]CH)(S[6]O[6]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	S[6](O[6]C[6])2(O)2{2|H<1>,3|C<4>}	114.9650	0.246	2	114.9650	0.061	2	114.9650	0.061	2	114.9650	0.061	2	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:4:1:	3:2:2:1:	S[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6]-2:N-2:O-1:	O[6](S[6]C[6,6a]NO)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O)	O[6](S[6]C[6,6a]NO)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O){2|C<3>,2|C<4>,2|H<1>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:4:1:	3:3:2:2:	S[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	S[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	116.7670	0.000	1	116.7670	0.000	1	117.3540	0.689	2	117.3540	0.689	2	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:2:4:1:	3:3:2:2:	S[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	S[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	117.9410	0.000	1	117.9410	0.000	1	117.3540	0.689	2	117.3540	0.689	2	115.5590	10.144	22	115.7717	9.488	25
622	466	961	6:SP3_SP3_SP3	O[6]	C[6]	S[6]	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S[6]-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	N[6]-3:O[6]-2:O-1:O-1:	O[6](C[6]C[6]2H)(S[6]N[6]OO)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H)	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O[6](C[6]C[6]2H)(S[6]N[6]OO){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,2|C<4>,2|H<1>}	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	115.5590	10.144	22	115.7717	9.488	25
622	474	474	6:SP3_SP3_SP3	O[6,6]	C[5,6,6]	C[5,6,6]	4:4:	3:2:4:4:	4:2:4:3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C)	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2{4|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	114.0415	3.377	2	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6,6]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:4:	4:2:2:1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	O[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]O[5,6]H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H)	O[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]O[5,6]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H){1|C<3>,3|C<4>,3|H<1>}	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	114.0415	3.377	2	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,5,6]	C[5,5,6]	4:4:	3:3:4:2:	4:4:4:2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6])	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6])	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2){1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6]){3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6]){1|C<4>,6|C<3>}	118.2115	0.243	2	118.2115	0.059	2	118.2115	0.059	2	118.2115	0.059	2	118.2115	0.059	2	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	2:2:2:2:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O[5]-2:O[5]-2:	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	C[5,6](O[6]C[5,5,6])(O[6]C[5,6,6])(O[5]C[5,6a])2	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	C[5,6](O[6]C[5,5,6])(O[6]C[5,6,6])(O[5]C[5,6a])2{2|C<3>,2|H<1>,3|C<4>}	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2{1|P<3>,2|H<1>,8|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	110.9490	0.000	1	110.7505	0.079	2	110.7505	0.079	2	110.7505	0.079	2	110.7505	0.079	2	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2{1|P<4>,2|H<1>,8|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	110.5520	0.000	1	110.7505	0.079	2	110.7505	0.079	2	110.7505	0.079	2	110.7505	0.079	2	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:1:	2:2:2:2:	C[5,6,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O[5]-2:O[5]-2:	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	C[5,6](O[6]C[5,5,6])(O[6]C[5,6,6])(O[5]C[5,6a])2	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](O[6]C[5,5,6])(O[6]C[5,6,6])(O[5]C[5,6a])2{2|C<3>,2|H<1>,3|C<4>}	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	112.5483	2.238	3	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:1:	2:4:2:3:	C[5,6,6]-4:C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H){3|C<4>,4|H<1>}	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	112.5483	2.238	3	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:1:	2:4:4:2:	C[5,6,6]-4:C[5,6]-4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:C[5]-4:C[5]-4:O[6]-2:	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6])	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6]){3|C<4>,4|H<1>}	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	112.5483	2.238	3	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	108.9700	0.387	2	108.9700	0.150	2	108.9700	0.150	2	108.9700	0.150	2	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:3:2:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	114.6970	0.182	2	114.6970	0.033	2	114.6970	0.033	2	114.6970	0.033	2	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	112.5490	0.786	2	112.5490	0.618	2	112.5490	0.618	2	112.5490	0.618	2	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	114.0233	0.312	3	114.0895	0.082	4	114.0895	0.082	4	114.1950	0.118	5	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){2|C<3>,2|H<1>,7|C<4>}	114.2880	0.000	1	114.0895	0.082	4	114.0895	0.082	4	114.1950	0.118	5	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	114.6170	0.000	1	114.6170	0.000	1	114.6170	0.000	1	114.1950	0.118	5	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	114.5895	0.200	2	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<2>,4|C<4>,4|H<1>}	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	114.5895	0.200	2	113.0051	4.177	15	113.3669	5.679	25
622	474	474	6:SP3_SP3_SP3	O[6]	C[5,6]	C[5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	111.2450	0.000	2	111.2450	0.000	2	111.2450	0.000	2	111.2450	0.000	2	113.0051	4.177	15	113.3669	5.679	25
622	474	478	6:SP3_SP3_SP3	O[6]	C[5,6]	C[4,6]	4:4:	4:2:3:2:	4:4:2:3:	C[5,6]-4:C[4,6]-4:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[4]-4:C[4]-4:O[6]-2:C[6]-3:	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6])	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	C[4,6](C[4]C[4]HH)2(O[6]C[5,6])(C[6]C[6]N)	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6]){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[4,6](C[4]C[4]HH)2(O[6]C[5,6])(C[6]C[6]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.9365	0.142	2	115.9365	0.020	2	115.9365	0.020	2	115.9365	0.020	2	115.9365	0.020	2	115.9365	0.020	2
622	474	542	6:SP3_SP2_SP3	O[6]	C[5,6]	N[5,6]	4:3:	3:4:2:2:	3:3:2:	C[5,6]-4:N[5,6]-3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6])	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6]){1|O<1>,1|S<2>,3|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.2920	0.000	1	112.2730	0.001	2	112.2730	0.001	2	112.2730	0.001	2	112.2730	0.001	2	112.2730	0.001	2
622	474	542	6:SP3_SP2_SP3	O[6]	C[5,6]	N[5,6]	4:3:	3:4:2:2:	3:3:2:	C[5,6]-4:N[5,6]-3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6])	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.2540	0.000	1	112.2730	0.001	2	112.2730	0.001	2	112.2730	0.001	2	112.2730	0.001	2	112.2730	0.001	2
622	474	618	6:SP2_SP2_SP3	O[6]	C[5,6]	B[6]	4:3:	4:4:2:1:	3:2:2:	C[5,6]-4:B[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[6a]-3:O[6]-2:O[6]-2:	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	122.4110	2.014	7	122.1279	3.392	9	122.1279	3.392	9	122.1279	3.392	9	122.6394	5.632	10	122.6394	5.632	10
622	474	618	6:SP2_SP2_SP3	O[6]	C[5,6]	B[6]	4:3:	4:4:2:1:	3:2:2:	C[5,6]-4:B[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[6a]-3:O[6]-2:O[6]-2:	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	121.1370	0.525	2	122.1279	3.392	9	122.1279	3.392	9	122.1279	3.392	9	122.6394	5.632	10	122.6394	5.632	10
622	474	618	6:SP2_SP2_SP3	O[6]	C[5,6]	B[6]	4:3:	4:4:2:1:	3:4:2:	C[5,6]-4:B[6]-3:	P[5,6]-4:B[5]-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:	O[6](C[5,6]P[5,6]B[5]H)(B[6]C[6a]C[6])	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H)	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])	O[6](C[5,6]P[5,6]B[5]H)(B[6]C[6a]C[6]){2|H<1>,3|C<4>,5|C<3>}	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H){1|C<4>,6|H<1>,7|C<3>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,3|H<1>}	127.2430	0.000	1	127.2430	0.000	1	127.2430	0.000	1	127.2430	0.000	1	122.6394	5.632	10	122.6394	5.632	10
622	474	622	6:SP3_SP3_SP3	O[6,6]	C[5,3x6]	O[6,6]	4:2:	3:3:3:2:	4:2:	C[5,3x6]-4:O[6,6]-2:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[4x6]-4:O[6,6]-2:	O[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6])	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6])	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6])	O[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6]){1|Si<4>,6|C<3>}	C[5,3x6](C[6,6,6a]C[3x6,6a]C[6a,6a])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])(O[6,6]O[6,6]){1|H<1>,3|C<4>,6|C<3>}	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6]){7|C<3>}	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	111.4818	1.652	10	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6,6]	C[5,3x6]	O[6,6]	4:2:	3:4:2:4:	4:2:	C[5,3x6]-4:O[6,6]-2:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[3x6]-4:O[6,6]-2:	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6])	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6]){2|C<3>,2|C<4>,2|H<1>}	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	110.4805	4.491	2	111.4818	1.652	10	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6,6]	C[5,3x6]	O[6,6]	4:2:	3:4:2:4:	4:2:	C[5,3x6]-4:O[6,6]-2:	N[5,6,6]-3:C[6,6]-4:O[6,6]-2:C[5]-4:	C[3x6]-4:O[6,6]-2:	O[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(O[6,6]C[3x6])	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH)	O[6,6](C[3x6]C[6,6]2C)(O[6,6]C[5,3x6])	O[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(O[6,6]C[3x6]){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O[6,6](C[3x6]C[6,6]2C)(O[6,6]C[5,3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	110.4805	4.491	2	111.4818	1.652	10	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6,6]	C[5,3x6]	O[6,6]	4:2:	4:3:2:4:	4:2:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[3x6]-4:O[6,6]-2:	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6])	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6])	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6]){1|C<3>,2|C<4>,3|H<1>}	112.2930	0.158	6	112.2930	0.025	6	112.2930	0.025	6	112.2930	0.025	6	111.4818	1.652	10	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6,6]	C[5,3x6]	O[6,6]	4:2:	4:3:4:2:	4:2:	C[5,3x6]-4:O[6,6]-2:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[3x6]-4:O[6,6]-2:	O[6,6](C[5,3x6]C[5,6,6]2C[6,6])(O[6,6]C[3x6])	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6])	O[6,6](C[5,3x6]C[5,6,6]2C[6,6])(O[6,6]C[3x6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6]){1|C<3>,2|C<4>,3|H<1>}	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	111.4818	1.652	10	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6]	C[5,6]	O[6]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[6]-2:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:	O[6](C[5,6]O[5,6]C[5]C)(O[6]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	O[6](C[6]C[5,6]CC)(O[6]C[5,6])	O[6](C[5,6]O[5,6]C[5]C)(O[6]C[6]){2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3){1|C<4>,3|H<1>}	O[6](C[6]C[5,6]CC)(O[6]C[5,6]){1|H<1>,1|O<2>,3|C<4>}	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.5112	1.234	5	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6]	C[5,6]	O[6]	4:2:	4:3:2:2:	4:2:	C[5,6]-4:O[6]-2:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[6]-4:O[6]-2:	O[6](C[5,6]C[5,6]2O)(O[6]C[6])	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	O[6](C[6]C[6]CC)(O[6]C[5,6])	O[6](C[5,6]C[5,6]2O)(O[6]C[6]){1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	O[6](C[6]C[6]CC)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	108.5112	1.234	5	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6]	C[5,6]	O[6]	4:2:	4:4:2:2:	4:2:	C[5,6]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[6]-4:O[6]-2:	O[6](C[5,6]C[5,5,6]C[5]O)(O[6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	O[6](C[6]C[5,6]CC)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5]O)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	O[6](C[6]C[5,6]CC)(O[6]C[5,6]){1|H<1>,1|O<2>,3|C<4>}	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	108.5112	1.234	5	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6]	C[5,6]	O[6]	4:2:	4:4:4:2:	4:2:	C[5,6]-4:O[6]-2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:	O[6](C[5,6]C[5]2C[6])(O[6]C[6])	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	O[6](C[6]C[3]C[6]O)(O[6]C[5,6])	O[6](C[5,6]C[5]2C[6])(O[6]C[6]){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	O[6](C[6]C[3]C[6]O)(O[6]C[5,6]){3|H<1>,5|C<4>}	109.2260	0.000	1	109.2260	0.000	1	109.6360	0.336	2	109.6360	0.336	2	108.5112	1.234	5	110.4916	3.515	15
622	474	622	6:SP3_SP3_SP3	O[6]	C[5,6]	O[6]	4:2:	4:4:4:2:	4:2:	C[5,6]-4:O[6]-2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:	O[6](C[5,6]C[5]2C[6])(O[6]C[6])	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	O[6](C[6]C[6a]C[6]O)(O[6]C[5,6])	O[6](C[5,6]C[5]2C[6])(O[6]C[6]){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	O[6](C[6]C[6a]C[6]O)(O[6]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	110.0460	0.000	1	110.0460	0.000	1	109.6360	0.336	2	109.6360	0.336	2	108.5112	1.234	5	110.4916	3.515	15
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,4x6]	C[6,6a]	4:3:	4:4:3:2:	3:2:3:	C[5,4x6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	122.7090	0.000	1	122.0505	0.867	2	122.0505	0.867	2	122.0505	0.867	2	118.7076	8.846	8	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,4x6]	C[6,6a]	4:3:	4:4:3:2:	3:2:3:	C[5,4x6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.3920	0.000	1	122.0505	0.867	2	122.0505	0.867	2	122.0505	0.867	2	118.7076	8.846	8	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,4x6]	C[6,6a]	4:3:	4:4:4:2:	3:2:3:	C[5,4x6]-4:C[6,6a]-3:	C[3,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a]){2|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.8250	0.957	2	118.8250	0.917	2	118.8250	0.917	2	117.5933	6.252	6	118.7076	8.846	8	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,4x6]	C[6,6a]	4:3:	4:4:4:2:	3:2:3:	C[5,4x6]-4:C[6,6a]-3:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C)	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	117.5933	6.252	6	118.7076	8.846	8	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,4x6]	C[6,6a]	4:3:	4:4:4:2:	3:2:3:	C[5,4x6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	116.4040	0.000	1	115.5753	1.099	3	115.5753	1.099	3	117.5933	6.252	6	118.7076	8.846	8	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,4x6]	C[6,6a]	4:3:	4:4:4:2:	3:2:3:	C[5,4x6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.1610	1.080	2	115.5753	1.099	3	115.5753	1.099	3	117.5933	6.252	6	118.7076	8.846	8	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,5,6,6]	C[6,6a]	4:3:	4:4:3:2:	3:2:3:	C[5,5,6,6]-4:C[6,6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H)	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,5,6]	C[6,6a]	4:3:	4:3:2:2:	3:2:3:	C[5,5,6]-4:C[6,6a]-3:	C[3x5,6]-4:C[5,6a]-3:O[6]-2:O[5]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H)	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6a]	4:3:	4:2:4:2:	3:3:2:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6])	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	116.4310	9.124	13	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6a]	4:3:	4:2:4:3:	3:2:3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	116.2500	0.000	1	116.6784	0.419	9	116.6784	0.419	9	116.6784	0.419	9	116.4310	9.124	13	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6a]	4:3:	4:2:4:3:	3:2:3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.7320	0.670	8	116.6784	0.419	9	116.6784	0.419	9	116.6784	0.419	9	116.4310	9.124	13	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6a]	4:3:	4:3:2:2:	3:3:2:	C[5,6,6]-4:C[6,6a]-3:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6])	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	116.4310	9.124	13	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6a]	4:3:	4:3:2:3:	3:2:3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	116.4310	9.124	13	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6a]	4:3:	4:4:2:1:	3:2:3:	C[5,6,6]-4:C[6,6a]-3:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	116.4310	9.124	13	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	2:2:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,5|C<3>}	112.8740	0.044	2	112.8740	0.002	2	112.8740	0.002	2	112.8740	0.002	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	2:2:3:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	2:2:4:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5])	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	114.8120	0.000	1	114.8120	0.000	1	114.8120	0.000	1	115.2530	0.389	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5])	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5]){1|N<2>,2|C<4>,5|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	115.2530	0.389	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	114.9030	0.535	2	115.0457	0.204	3	112.7086	10.634	5	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	115.3310	0.000	1	115.0457	0.204	3	112.7086	10.634	5	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,1|H<1>,2|F<1>,3|C<3>}	109.2030	1.079	2	109.2030	1.164	2	112.7086	10.634	5	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|O<2>,7|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.0640	0.000	1	116.0640	0.000	1	114.9183	5.300	3	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	112.2680	0.000	1	112.2680	0.000	1	114.9183	5.300	3	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	116.4230	0.000	1	116.4230	0.000	1	114.9183	5.300	3	113.4362	7.878	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|H<1>,5|C<3>}	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	118.0205	3.795	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6]){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){3|H<1>,6|C<3>}	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	118.0205	3.795	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:3:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,1|O<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:4:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	115.4695	1.387	2	115.4695	1.923	2	115.4695	1.923	2	118.4438	8.562	5	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:4:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<3>,3|C<4>,6|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.4300	0.000	1	120.4300	0.000	1	120.4267	1.418	3	118.4438	8.562	5	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:4:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.4250	1.684	2	120.4250	2.837	2	120.4267	1.418	3	118.4438	8.562	5	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:4:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	116.6620	2.865	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	3:4:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.6355	0.211	2	117.6355	0.045	2	117.6355	0.045	2	116.6620	2.865	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.1070	0.000	1	115.1070	0.000	1	118.1660	2.994	7	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	118.8420	0.000	1	118.8313	2.456	3	118.1660	2.994	7	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.8260	2.216	2	118.8313	2.456	3	118.1660	2.994	7	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	117.3790	0.000	1	118.5203	0.996	3	118.1660	2.994	7	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	118.9520	0.000	1	118.5203	0.996	3	118.1660	2.994	7	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.2300	0.000	1	118.5203	0.996	3	118.1660	2.994	7	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	118.3060	0.000	1	118.3060	0.000	1	116.3185	7.900	2	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.3310	0.000	1	114.3310	0.000	1	116.3185	7.900	2	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H)	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	117.8332	3.524	10	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2)	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2){1|Cl<1>,1|O<2>,2|S<2>,4|C<3>}	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6]){2|Cl<1>,1|C<3>,1|C<4>,2|S<2>}	115.0584	0.454	8	115.0584	0.206	8	115.0584	0.206	8	115.0584	0.206	8	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,5]-4:O[6]-2:O[6]-2:C[5]-4:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	113.3650	0.194	2	113.3650	0.038	2	113.3650	0.038	2	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	115.3770	0.000	1	115.3770	0.000	1	116.7530	3.557	6	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	115.1800	0.290	2	115.1800	0.084	2	116.7530	3.557	6	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	118.6010	0.000	1	119.0410	0.387	2	116.7530	3.557	6	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	119.4810	0.000	1	119.0410	0.387	2	116.7530	3.557	6	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.6990	0.000	1	116.6990	0.000	1	116.7530	3.557	6	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.5490	0.000	1	117.5490	0.000	1	118.2388	2.082	12	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.9670	0.512	2	116.9670	0.262	2	118.2388	2.082	12	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|S<3>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.3945	0.448	2	116.3945	0.200	2	118.2388	2.082	12	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.2277	0.920	7	119.2277	0.847	7	118.2388	2.082	12	117.2480	4.273	21	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.5637	1.702	3	113.5637	2.895	3	113.9138	2.420	4	116.8540	9.594	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,4|H<1>}	114.9640	0.000	1	114.9640	0.000	1	113.9138	2.420	4	116.8540	9.594	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	116.8540	9.594	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	117.9555	0.903	2	117.9555	0.815	2	117.9555	0.815	2	116.8540	9.594	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.8475	0.999	2	119.8475	0.998	2	119.8475	0.998	2	116.8540	9.594	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:3:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.2200	0.000	1	117.2200	0.000	1	117.1277	6.025	11	117.1277	6.025	11	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.8182	1.403	6	117.8182	1.968	6	117.1277	6.025	11	117.1277	6.025	11	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.3510	0.000	1	116.3510	0.000	1	117.1277	6.025	11	117.1277	6.025	11	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.1540	0.000	1	121.1540	0.000	1	117.1277	6.025	11	117.1277	6.025	11	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	114.5510	0.000	1	113.3855	2.717	2	117.1277	6.025	11	117.1277	6.025	11	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	112.2200	0.000	1	113.3855	2.717	2	117.1277	6.025	11	117.1277	6.025	11	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6,6a]-3:C[5,6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6])	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5]){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6]){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	117.6015	8.335	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	119.6430	0.000	1	119.6430	0.000	1	119.6430	0.000	1	117.6015	8.335	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N)	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	118.3180	0.000	1	117.9130	0.163	3	117.9130	0.163	3	117.9130	0.163	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.7105	0.284	2	117.9130	0.163	3	117.9130	0.163	3	117.9130	0.163	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,2|O<2>,6|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	117.5940	0.000	1	117.5940	0.000	1	115.1265	12.177	2	115.1265	12.177	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:2:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,1|O<2>,1|S<2>,6|C<3>}	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	112.6590	0.000	1	112.6590	0.000	1	115.1265	12.177	2	115.1265	12.177	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5]){1|F<1>,1|N<2>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,2|F<1>,4|C<3>}	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.7120	0.901	2	122.7120	0.812	2	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.3140	0.000	1	120.3140	0.000	1	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.8600	0.100	2	120.8600	0.010	2	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|Br<1>,1|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.6205	0.689	2	122.6205	0.475	2	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.8917	0.814	25	121.8917	0.662	25	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.4630	0.000	1	122.4630	0.000	1	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.4500	0.147	2	118.4500	0.022	2	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.5540	0.000	1	118.5540	0.000	1	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.9510	0.635	3	118.7806	0.474	5	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	118.5250	0.933	2	118.7806	0.474	5	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.8303	0.735	3	117.2736	0.640	5	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	117.9385	0.078	2	117.2736	0.640	5	120.8300	3.712	46	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,4|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	117.6120	0.000	1	117.6120	0.000	1	117.8655	0.129	2	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.1190	0.000	1	118.1190	0.000	1	117.8655	0.129	2	120.5314	5.334	49	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	3:4:	4:3:2:4:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.3625	0.288	2	120.3625	0.083	2	120.3625	0.083	2	120.3625	0.083	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	2:3:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:2:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,3|H<1>,4|C<3>}	113.8810	0.037	2	113.8810	0.001	2	113.8810	0.001	2	113.8810	0.001	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:2:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){2|H<1>,2|O<2>,3|C<3>}	119.7063	0.739	3	119.7063	0.546	3	119.7063	0.546	3	119.7063	0.546	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:2:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	117.7130	0.000	1	117.7130	0.000	1	116.6797	1.517	3	116.6797	1.517	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:2:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.1630	1.196	2	116.1630	1.431	2	116.6797	1.517	3	116.6797	1.517	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:2:4:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	111.9050	0.000	1	110.7760	1.151	3	110.7760	1.151	3	110.7760	1.151	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	110.2115	0.624	2	110.7760	1.151	3	110.7760	1.151	3	110.7760	1.151	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:3:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5a]-3:O[5,6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:3:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|H<1>,4|C<3>}	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	112.9315	0.345	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	112.9315	0.345	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:4:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.6160	0.000	1	120.6160	0.000	1	117.3300	21.596	2	117.3300	21.596	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:4:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	114.0440	0.000	1	114.0440	0.000	1	117.3300	21.596	2	117.3300	21.596	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:4:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	115.0493	0.275	3	115.2193	0.166	4	115.2193	0.166	4	115.2193	0.166	4	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	3:4:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|H<1>}	115.7290	0.000	1	115.2193	0.166	4	115.2193	0.166	4	115.2193	0.166	4	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	116.4270	0.000	1	117.1560	1.294	3	117.1560	1.294	3	117.1560	1.294	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	116.5740	0.000	1	117.1560	1.294	3	117.1560	1.294	3	117.1560	1.294	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	118.4670	0.000	1	117.1560	1.294	3	117.1560	1.294	3	117.1560	1.294	3	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	117.4613	0.418	4	117.4254	0.138	5	117.2090	0.391	6	117.4941	1.784	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	117.2820	0.000	1	117.4254	0.138	5	117.2090	0.391	6	117.4941	1.784	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[4,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	116.1270	0.000	1	116.1270	0.000	1	117.2090	0.391	6	117.4941	1.784	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	117.4941	1.784	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:2:4:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.2835	3.251	2	118.2835	10.566	2	118.2835	10.566	2	117.4941	1.784	9	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,5,6]-4:C[5,6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a]){1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[5,6]){1|C<4>,3|H<1>,6|C<3>}	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	117.3740	15.714	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1770	0.000	1	120.1770	0.000	1	120.1770	0.000	1	117.3740	15.714	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.6630	6.408	2	117.3400	15.870	5	116.7790	11.510	7	116.7790	11.510	7	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.7913	3.232	3	117.3400	15.870	5	116.7790	11.510	7	116.7790	11.510	7	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.5660	0.000	1	115.5660	0.000	1	116.7790	11.510	7	116.7790	11.510	7	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.1870	0.000	1	115.1870	0.000	1	116.7790	11.510	7	116.7790	11.510	7	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,7|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	113.6015	14.629	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:3:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	113.6015	14.629	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:4:2:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:4:2:4:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.3210	0.034	2	122.3210	0.001	2	122.3210	0.001	2	122.3210	0.001	2	117.4839	9.758	202	117.4431	9.700	225
622	474	643	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6a]	4:3:	4:4:3:2:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|O<2>}	116.2660	0.239	2	116.2660	0.057	2	116.2660	0.057	2	116.2660	0.057	2	117.4839	9.758	202	117.4431	9.700	225
622	474	658	6:SP3_SP3_SP3	O[6]	C[5,6,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:Si[6]-4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	Si[6](O[6]C[5,6,6])(O[6]C[6,6])(CC3)2	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	Si[6](O[6]C[5,6,6])(O[6]C[6,6])(CC3)2{2|H<1>,3|C<4>}	128.5530	0.130	2	128.5530	0.017	2	128.5530	0.017	2	128.5530	0.017	2	128.5530	0.017	2	124.3480	53.055	3
622	474	658	6:SP3_SP3_SP3	O[6]	C[5,6]	Si[6]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:Si[6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:C-4:	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	Si[6](O[6]C[5,6])(O[6]C[6])(CC3)2	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	Si[6](O[6]C[5,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	124.3480	53.055	3
622	474	727	6:SP2_SP2_SP3	O[6]	C[5,6]	C[5a,6]	3:4:	4:2:4:1:	3:3:2:	C[5a,6]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	113.2705	1.186	2	113.2705	1.406	2	112.8388	1.827	4	112.8388	1.827	4	112.8388	1.827	4	112.8388	1.827	4
622	474	727	6:SP2_SP2_SP3	O[6]	C[5,6]	C[5a,6]	3:4:	4:2:4:1:	3:3:2:	C[5a,6]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	112.4070	1.824	2	112.4070	3.328	2	112.8388	1.827	4	112.8388	1.827	4	112.8388	1.827	4	112.8388	1.827	4
622	474	762	6:SP2_SP2_SP3	O[6,6]	C[5,3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[5,3x6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(O)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O){1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(O){1|C<3>,3|C<4>,3|H<1>}	114.3750	0.000	1	114.3750	0.000	1	114.3750	0.000	1	115.5008	0.493	5	115.3125	0.607	6	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6,6]	C[5,3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[5,3x6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O){2|C<3>,3|C<4>,4|H<1>}	115.5915	0.426	2	115.7823	0.130	4	115.7823	0.130	4	115.5008	0.493	5	115.3125	0.607	6	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6,6]	C[5,3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[5,3x6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	115.7980	0.000	1	115.7823	0.130	4	115.7823	0.130	4	115.5008	0.493	5	115.3125	0.607	6	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6,6]	C[5,3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[5,3x6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:O[6,6]-2:O-1:	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(O[6,6]C[5,3x6])(O){1|C<3>,4|C<4>,5|H<1>}	116.1480	0.000	1	115.7823	0.130	4	115.7823	0.130	4	115.5008	0.493	5	115.3125	0.607	6	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6,6]	C[5,3x6]	C[6,6]	4:3:	4:4:2:4:	4:2:1:	C[5,3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[3x6]-4:O[6,6]-2:O-1:	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[5,3x6])(O)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O){4|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[5,3x6])(O){1|C<3>,2|H<1>,4|C<4>}	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	115.3125	0.607	6	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,3x6]	C[6]	4:3:	4:4:2:2:	4:2:1:	C[5,3x6]-4:C[6]-3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(C[6]C[6]O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[6](C[6]C[5,6,6]HH)(O[6]C[5,3x6])(O)	O[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(C[6]C[6]O){4|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(O[6]C[5,3x6])(O){1|O<2>,4|C<4>}	117.0680	0.000	1	117.0680	0.000	1	117.0680	0.000	1	117.0680	0.000	1	121.3730	37.066	2	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,3x6]	C[6]	4:3:	4:4:3:2:	3:2:1:	C[5,3x6]-4:C[6]-3:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,3x6]C[5,6,6]C[3x6]N[5,6])(C[6]C[6,6a]O)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O)	O[6](C[5,3x6]C[5,6,6]C[3x6]N[5,6])(C[6]C[6,6a]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	125.6780	0.000	1	125.6780	0.000	1	125.6780	0.000	1	125.6780	0.000	1	121.3730	37.066	2	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,5,6]	C[6,6]	4:3:	4:4:4:2:	4:2:3:	C[5,5,6]-4:C[6,6]-3:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[6,6]-4:O[6]-2:C[6]-3:	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C)	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6]){2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6]	4:3:	4:2:2:1:	3:2:4:	C[5,6,6]-4:C[6,6]-3:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	O[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.8000	0.005	2	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6,6]	4:3:	4:3:2:1:	3:2:4:	C[5,6,6]-4:C[6,6]-3:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[5,6,6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	O[6](C[5,6,6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]C[6]){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	113.8000	0.005	2	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	3:3:4:2:	2:4:1:	C[5,6,6]-4:C[6]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6])	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O)	O[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]O){2|H<1>,3|C<3>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2C)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.4650	0.191	2	124.4650	0.036	2	124.4650	0.036	2	124.4650	0.036	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:2:4:2:	3:2:1:	C[5,6,6]-4:C[6]-3:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	C[6](C[6,6]C[3x6]C[6])(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[5,6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:2:4:2:	4:2:1:	C[5,6,6]-4:C[6]-3:	C[3,5,6]-4:O[5,6]-2:C[6]-4:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[5,6,6]C[3,5,6]O[5,6]C[6])(C[6]C[6,6]O)	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[3,5,6]O[5,6]C[6])(C[6]C[6,6]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[5,6,6])(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:3:2:1:	2:3:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[6](O[6]C[5,6,6])(C[6]N[6]C)(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:3:2:1:	2:4:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	O[6]-2:C[6]-4:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|N<2>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	116.5480	0.603	3	116.5480	0.364	3	116.1455	0.547	33	116.1455	0.547	33	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:3:2:1:	2:4:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	O[6]-2:C[6]-4:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|H<1>,1|N<2>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	115.9239	0.872	17	115.9239	0.760	17	116.1455	0.547	33	116.1455	0.547	33	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:3:2:1:	2:4:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	O[6]-2:C[6]-4:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	116.4327	0.374	12	116.4327	0.140	12	116.1455	0.547	33	116.1455	0.547	33	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:3:2:1:	2:4:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	O[6]-2:C[6]-4:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[6](O[6]C[5,6,6])(C[6]N[6]HH)(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|N<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	115.2590	0.000	1	115.2590	0.000	1	116.1455	0.547	33	116.1455	0.547	33	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:3:4:2:	2:3:3:	C[5,6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	O[6]-2:C[5]-3:C[6]-3:	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H)	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H)	C[6](O[6]C[5,6,6])2(O)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O){1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](O[6]C[5,6,6])2(O){1|C<3>,1|H<1>,3|C<4>}	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	121.1010	9.557	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	C[6](O[6]C[5,6,6])(O[6]C[6])(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O){1|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](O[6]C[5,6,6])(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	121.1010	9.557	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O){2|C<3>,2|C<4>,2|H<1>}	124.0780	0.000	1	124.0780	0.000	1	124.0780	0.000	1	124.0780	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	116.4660	0.000	1	116.8965	0.371	2	116.8965	0.371	2	116.8965	0.371	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	117.3270	0.000	1	116.8965	0.371	2	116.8965	0.371	2	116.8965	0.371	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:2:	2:3:1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(O)	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](O[6]C[5,6,6])(C[6]C[6]H)(O){1|O<2>,3|C<4>}	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:2:3:	2:2:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:C-3:	O[6]-2:O[6]-2:O-1:	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO)	C[6](O[6]C[5,6,6])2(O)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O){1|O<2>,2|F<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](O[6]C[5,6,6])2(O){1|C<3>,1|H<1>,3|C<4>}	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:4:2:	2:3:3:	C[5,6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	O[6]-2:C[5a]-3:C[6]-3:	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5a]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H)	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5a]C[6]){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	117.2305	4.327	2	117.2305	18.721	2	117.2305	18.721	2	117.2305	18.721	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:4:2:	2:4:1:	C[5,6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O)	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[5,6,6]-4:C[6]-3:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6,6]C[5,6,6]C[3x5]C[6])(C[6]C[6]O)	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[5,6,6]C[3x5]C[6])(C[6]C[6]O){1|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O){5|C<4>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.0155	0.415	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[6]	4:3:	4:4:4:2:	4:2:1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O)	O[6](C[5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]O){1|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O){5|C<4>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	120.0155	0.415	2	117.4098	7.078	51	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6]	4:3:	4:3:2:3:	3:2:3:	C[5,6]-4:C[6,6]-3:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H)	O[6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6]){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.7318	1.250	4	119.7318	1.562	4	119.7318	1.562	4	119.7318	1.562	4	118.5010	2.756	8	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6]	4:3:	4:4:2:4:	3:4:2:	C[5,6]-4:C[6,6]-3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6]){1|O<1>,4|C<4>,4|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	118.5010	2.756	8	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6]	4:3:	4:4:4:2:	3:4:2:	C[5,6]-4:C[6,6]-3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6])	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	116.3450	0.000	1	116.3450	0.000	1	116.6880	0.235	2	116.6880	0.235	2	118.5010	2.756	8	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6]	4:3:	4:4:4:2:	3:4:2:	C[5,6]-4:C[6,6]-3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	117.0310	0.000	1	117.0310	0.000	1	116.6880	0.235	2	116.6880	0.235	2	118.5010	2.756	8	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6,6]	4:3:	4:4:4:2:	4:3:2:	C[5,6]-4:C[6,6]-3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6,6]-3:O[6]-2:	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	118.5010	2.756	8	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	2:4:2:1:	3:2:1:	C[5,6]-4:C[6]-3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H){1|H<1>,1|O<2>,3|C<4>}	110.8153	0.295	6	110.8153	0.087	6	110.8153	0.087	6	110.8153	0.087	6	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:3:2:2:	3:3:2:	C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[5,6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6]){1|C<4>,2|I<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	116.9950	0.000	1	118.1950	2.880	2	118.1950	2.880	2	118.1950	2.880	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:3:2:2:	3:3:2:	C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[5,6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6]){1|C<4>,2|I<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	119.3950	0.000	1	118.1950	2.880	2	118.1950	2.880	2	118.1950	2.880	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:3:2:2:	4:2:3:	C[5,6]-4:C[6]-3:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	C[6]-4:O[6]-2:C-3:	O[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH)	O[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	117.4277	1.834	3	117.4277	3.364	3	117.4277	3.364	3	117.4277	3.364	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:3:2:4:	3:2:1:	C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:3:3:2:	3:2:1:	C[5,6]-4:C[6]-3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6,6a]O)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6,6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	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>}	124.5540	0.000	1	124.5540	0.000	1	124.5540	0.000	1	124.5540	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:3:4:2:	4:2:1:	C[5,6]-4:C[6]-3:	C[5]-3:C[5]-3:C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	118.7490	0.000	1	118.7490	0.000	1	118.7490	0.000	1	118.7490	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	O[6]-2:N[6]-3:O-1:	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:1:	2:3:3:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:C-3:	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(COS)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(COS){1|C<4>,2|C<3>,2|H<1>}	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	120.0565	6.150	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	118.3030	0.000	1	118.3030	0.000	1	118.3030	0.000	1	120.0565	6.150	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:4:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|O<2>,2|C<4>,3|C<3>}	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	119.1530	0.052	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:4:	3:2:1:	C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.3140	0.000	1	119.3140	0.000	1	119.3140	0.000	1	119.1530	0.052	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:2:4:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	118.7552	0.492	6	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	119.1890	0.000	1	119.1890	0.000	1	119.0056	0.145	5	118.7552	0.492	6	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]C)(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(O){1|C<4>,3|C<3>}	119.0120	0.000	1	119.0120	0.000	1	119.0056	0.145	5	118.7552	0.492	6	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,3|C<3>}	118.9770	0.725	2	118.9423	0.267	3	119.0056	0.145	5	118.7552	0.492	6	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,3|C<3>}	118.8730	0.000	1	118.9423	0.267	3	119.0056	0.145	5	118.7552	0.492	6	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	2:3:3:	C[5,6]-4:C[6]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.7375	0.162	2	121.7375	0.026	2	121.7375	0.026	2	121.7375	0.026	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|Br<1>,1|C<4>,4|C<3>}	121.6540	0.000	1	121.0750	0.670	2	121.0750	0.670	2	120.6662	0.548	4	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	120.4960	0.000	1	121.0750	0.670	2	121.0750	0.670	2	120.6662	0.548	4	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	120.6490	0.000	1	120.6490	0.000	1	120.2575	0.307	2	120.6662	0.548	4	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O){2|C<4>,4|C<3>}	119.8660	0.000	1	119.8660	0.000	1	120.2575	0.307	2	120.6662	0.548	4	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:2:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-2:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	117.4417	0.518	3	117.4417	0.268	3	117.4417	0.268	3	117.4417	0.268	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6])	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	121.3570	1.302	2	121.3570	1.696	2	121.3570	1.696	2	121.3570	1.696	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:4:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6]-4:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:4:2:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	115.6370	0.000	1	115.5325	0.022	2	115.5325	0.022	2	115.5325	0.022	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	3:4:4:2:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	115.4280	0.000	1	115.5325	0.022	2	115.5325	0.022	2	115.5325	0.022	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	121.5445	4.822	2	121.5445	23.249	2	121.5445	23.249	2	121.5445	23.249	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	2:3:3:	C[5,6]-4:C[6]-3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[6]-2:C[6]-3:C-3:	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(COO)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[6]-3:O[6]-2:H-1:	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	117.1697	0.975	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[6,6]-3:O[6]-2:H-1:	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.6150	0.324	2	116.6150	0.105	2	116.6150	0.105	2	117.1697	0.975	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	3:2:4:	C[5,6]-4:C[6]-3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-3:O[6]-2:C-4:	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO){2|C<4>,2|H<1>,2|O<2>}	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[3x5,6]-4:O[5]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[3x5,6]O[5]H)(C[6]C[6]O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[3x5,6]O[5]H)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H){2|H<1>,2|O<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|H<1>,1|O<2>,3|C<4>}	116.3760	0.215	2	116.3760	0.046	2	116.3760	0.046	2	116.3760	0.046	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:3:2:1:	3:2:2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[6a]-3:O[6]-2:N[6]-2:	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6])	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.9100	0.610	2	120.9100	0.372	2	120.9100	0.372	2	120.9100	0.372	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:3:3:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[5,6]C[5]2C[6])(C[6]C[6]H)	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:3:3:2:	3:3:2:	C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,5]N[5,6]C[6a])(C[6]C[6a]C[6])	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[5,6])	O[6](C[5,6]C[5,5]N[5,6]C[6a])(C[6]C[6a]C[6]){1|C<4>,9|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){10|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:3:4:2:	3:2:1:	C[5,6]-4:C[6]-3:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]O)	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|C<4>}	122.7130	0.873	2	122.7130	0.761	2	122.7130	0.761	2	122.7130	0.761	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:S-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[6](O[6]C[5,6])(O[6]C[6])(S)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	C[6](O[6]C[5,6])(O[6]C[6])(S){2|C<4>,3|H<1>}	124.0170	0.000	1	124.0170	0.000	1	124.0170	0.000	1	122.2021	8.476	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:S[6]-2:S-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[6](O[6]C[5,6])(S[6]C[6])(S)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	125.9690	0.000	1	125.9690	0.000	1	125.9690	0.000	1	122.2021	8.476	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(O[6]C[6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](O[6]C[5,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	123.8680	0.000	1	122.9123	0.998	3	122.9123	0.998	3	122.2021	8.476	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(O[6]C[6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	C[6](O[6]C[5,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	122.4345	0.791	2	122.9123	0.998	3	122.9123	0.998	3	122.2021	8.476	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:S[6]-2:S-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(S[6]C[6])(S)	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	118.3460	0.352	2	118.3460	0.124	2	118.3460	0.124	2	122.2021	8.476	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:H-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){2|C<4>,3|H<1>}	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	120.3679	17.411	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){2|C<4>,2|H<1>}	120.7290	0.897	2	120.7290	0.804	2	120.7290	0.804	2	120.3679	17.411	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|O<1>,3|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){2|C<4>,2|H<1>}	119.6580	0.000	1	119.6580	0.000	1	119.6580	0.000	1	120.3679	17.411	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:N[6]-3:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	123.3990	0.000	1	123.3990	0.000	1	121.4470	44.422	3	120.3679	17.411	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:N[6]-3:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){2|C<4>,3|H<1>}	114.0240	0.000	1	114.0240	0.000	1	121.4470	44.422	3	120.3679	17.411	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:N[6]-3:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](O[6]C[5,6])(N[6]C[6]C)(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	126.9180	0.000	1	126.9180	0.000	1	121.4470	44.422	3	120.3679	17.411	7	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O){1|H<1>,3|C<4>}	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	120.3097	3.084	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8090	0.000	1	121.2855	0.454	2	121.2855	0.454	2	120.3097	3.084	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){2|C<3>,2|C<4>,2|H<1>}	121.7620	0.000	1	121.2855	0.454	2	121.2855	0.454	2	120.3097	3.084	3	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(O){2|C<4>,3|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|N<3>,2|C<4>,2|H<1>}	118.5440	0.000	1	118.5440	0.000	1	118.5440	0.000	1	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	122.3250	0.000	1	122.3250	0.000	1	122.3250	0.000	1	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[5,6])(O){1|C<3>,3|C<4>,4|H<1>}	124.0140	0.000	1	124.0140	0.000	1	122.4712	10.373	4	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O){1|C<3>,3|C<4>,4|H<1>}	121.9570	3.738	3	121.9570	13.972	3	122.4712	10.373	4	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(O){2|C<4>,3|H<1>}	124.2370	0.000	1	124.2370	0.000	1	124.2370	0.000	1	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O){1|O<1>,3|C<4>,3|H<1>}	124.9985	0.327	2	124.9985	0.107	2	124.9985	0.107	2	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(O){4|C<4>,4|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O){2|H<1>,5|C<4>}	125.7590	0.000	1	125.7590	0.000	1	125.7590	0.000	1	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|H<1>,2|C<4>,2|S<2>}	118.3970	0.000	1	118.3970	0.000	1	118.1500	1.430	3	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(O){2|H<1>,3|C<4>}	116.8500	0.000	1	116.8500	0.000	1	118.1500	1.430	3	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|O<2>,2|C<4>,2|H<1>}	119.2030	0.000	1	119.2030	0.000	1	118.1500	1.430	3	121.8063	9.348	15	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:N[6]-2:	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6])	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6]){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6]){4|C<4>,7|H<1>}	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:2:4:	3:2:1:	C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O){1|O<2>,3|C<4>}	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]O)	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	O[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,2|C<4>,3|C<3>}	119.0125	0.282	2	119.0125	0.080	2	119.0125	0.080	2	119.0125	0.080	2	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:3:2:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	C[6](C[6]O[6]CH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]O[6]CH)(O[6]C[5,6])(O){1|C<3>,2|C<4>}	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	762	6:SP2_SP2_SP3	O[6]	C[5,6]	C[6]	4:3:	4:4:4:2:	2:3:1:	C[5,6]-4:C[6]-3:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	C[6](O[6]C[5,6])(C[6]C[6]C)(O)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]C)(O){1|H<1>,4|C<4>}	124.7850	0.000	1	124.7850	0.000	1	124.7850	0.000	1	124.7850	0.000	1	119.3306	13.921	94	118.4713	12.114	164
622	474	818	6:SP2_SP2_SP3	O[6]	C[5,6,6]	C[5,6]	4:3:	4:3:4:2:	3:3:2:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:O[6]-2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|H<1>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6]){1|C<4>,2|H<1>,3|O<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	114.4680	0.113	2	114.4680	0.013	2	114.4680	0.013	2	114.4680	0.013	2	114.4680	0.013	2	113.2801	5.726	7
622	474	818	6:SP2_SP2_SP3	O[6]	C[5,6]	C[5,6]	3:4:	4:2:2:1:	3:3:2:	C[5,6]-3:C[5,6]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	112.8050	7.599	5	113.2801	5.726	7
622	474	818	6:SP2_SP2_SP3	O[6]	C[5,6]	C[5,6]	4:3:	4:2:2:1:	3:2:3:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-3:O[6]-2:C[5]-3:	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	112.8050	7.599	5	113.2801	5.726	7
622	474	818	6:SP2_SP2_SP3	O[6]	C[5,6]	C[5,6]	4:3:	4:3:2:1:	3:4:2:	C[5,6]-4:C[5,6]-3:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-3:C[5]-4:O[6]-2:	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6]){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	112.8050	7.599	5	113.2801	5.726	7
622	474	818	6:SP2_SP2_SP3	O[6]	C[5,6]	C[5,6]	4:3:	4:4:2:2:	3:4:2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-3:C[5]-4:O[6]-2:	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	113.1235	0.039	2	113.1235	0.002	2	113.1235	0.002	2	113.1235	0.002	2	112.8050	7.599	5	113.2801	5.726	7
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6,6]	P[6]	4:4:	4:3:4:2:	4:2:3:1:	C[5,6,6]-4:P[6]-4:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[6,6]-4:O[6]-2:N-3:O-1:	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	P[6](C[6,6]C[6,6a]C[6]2)(O[6]C[5,6,6])(NC[6]H)(O)	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO){4|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	P[6](C[6,6]C[6,6a]C[6]2)(O[6]C[5,6,6])(NC[6]H)(O){1|H<1>,2|C<4>,5|C<3>}	132.3340	0.000	1	132.3340	0.000	1	132.3340	0.000	1	132.3340	0.000	1	132.3340	0.000	1	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:2:2:1:	3:4:2:1:	C[5,6]-4:P[6]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	O[6](C[5,6]C[5,6]O[5]H)(P[6]C[6a]C[6]O)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O)	O[6](C[5,6]C[5,6]O[5]H)(P[6]C[6a]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	125.9300	0.000	1	125.9300	0.000	1	125.9300	0.000	1	125.9300	0.000	1	115.6957	27.860	10	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:P[6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-1:O-1:	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(O)2	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(O)2{2|C<4>,3|H<1>}	110.7970	0.643	3	110.7970	0.413	3	110.7970	0.413	3	110.7970	0.413	3	115.6957	27.860	10	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:4:2:1:	2:2:2:1:	C[5,6]-4:P[6]-4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(OC[6a])(O)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	P[6](O[6]C[5,6])(O[6]C[6])(OC[6a])(O){1|C<3>,2|C<4>,2|H<1>}	116.2350	3.298	2	116.2350	10.876	2	116.2350	10.876	2	116.2350	10.876	2	115.6957	27.860	10	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6]-4:P[6]-4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(NCC)(O)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	P[6](O[6]C[5,6])(O[6]C[6])(NCC)(O){1|C<3>,2|C<4>,2|H<1>}	122.6980	0.000	1	122.6980	0.000	1	122.6980	0.000	1	116.6650	29.338	3	115.6957	27.860	10	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6]-4:P[6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(NCH)(O)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(NCH)(O){2|C<4>,3|H<1>}	115.0770	0.000	1	115.0770	0.000	1	113.6485	4.081	2	116.6650	29.338	3	115.6957	27.860	10	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6]-4:P[6]-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:N-3:O-1:	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(NC[6a]H)(O)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(NC[6a]H)(O){2|C<4>,3|H<1>}	112.2200	0.000	1	112.2200	0.000	1	113.6485	4.081	2	116.6650	29.338	3	115.6957	27.860	10	117.2083	50.240	11
622	474	849	6:SP3_SP3_SP3	O[6]	C[5,6]	P[6]	4:4:	4:4:2:1:	2:2:4:1:	C[5,6]-4:P[6]-4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	O[6]-2:O[6]-2:C-4:O-1:	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	P[6](O[6]C[5,6])(O[6]C[6])(CCHH)(O)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	P[6](O[6]C[5,6])(O[6]C[6])(CCHH)(O){1|C<3>,2|C<4>,2|H<1>}	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	115.6957	27.860	10	117.2083	50.240	11
622	474	856	6:SP3_SP2_SP3	O[6]	C[5,6]	N[6]	4:3:	4:4:2:4:	3:2:1:	C[5,6]-4:N[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[6,6a]-3:O[6]-2:H-1:	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1
622	474	856	6:SP3_SP3_SP3	O[6,6]	C[5,3x6]	N[6,6]	4:3:	3:4:2:4:	4:2:3:	C[5,3x6]-4:N[6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[3x6]-4:O[6,6]-2:C-3:	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO){2|C<3>,2|C<4>,2|H<1>}	113.1600	0.410	2	113.1600	0.168	2	113.1600	0.168	2	113.1600	0.168	2	113.1600	0.168	2	110.3322	6.746	6
622	474	856	6:SP3_SP3_SP3	O[6]	C[5,6]	N[6]	4:3:	4:3:2:1:	3:2:4:	C[5,6]-4:N[6]-3:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:O[6]-2:C-4:	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	108.9183	3.190	4	110.3322	6.746	6
622	474	856	6:SP3_SP3_SP3	O[6]	C[5,6]	N[6]	4:3:	4:3:2:1:	4:2:4:	C[5,6]-4:N[6]-3:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H){2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	108.9183	3.190	4	110.3322	6.746	6
622	474	856	6:SP3_SP3_SP3	O[6]	C[5,6]	N[6]	4:3:	4:4:2:1:	4:2:4:	C[5,6]-4:N[6]-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	109.3480	0.000	2	109.3480	0.000	2	109.3480	0.000	2	109.3480	0.000	2	108.9183	3.190	4	110.3322	6.746	6
622	474	874	6:SP3_SP3_SP3	O[6]	C[5,6]	B[6]	4:4:	4:3:2:2:	4:3:3:2:	C[5,6]-4:B[6]-4:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6]){1|C<4>,3|H<1>,8|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1
622	474	914	6:SP2_SP2_SP3	O[6]	C[5,6]	N[6]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[6]-2:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[6]-3:O[6]-2:	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	N[6](C[6]C[6a]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]){3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.8010	0.702	3	113.8010	0.492	3	113.8010	0.492	3	113.8010	0.492	3	115.8682	8.308	5	115.8682	8.308	5
622	474	914	6:SP2_SP2_SP3	O[6]	C[5,6]	N[6]	4:2:	4:4:2:1:	3:2:	C[5,6]-4:N[6]-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	N[6](C[6]C[6]Cl)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]){1|Cl<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	N[6](C[6]C[6]Cl)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	115.8682	8.308	5	115.8682	8.308	5
622	474	914	6:SP2_SP2_SP3	O[6]	C[5,6]	N[6]	4:2:	4:4:2:4:	3:2:	C[5,6]-4:N[6]-2:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[6,6]-3:O[6]-2:	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	N[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(O[6]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	119.2820	0.000	1	119.2820	0.000	1	119.2820	0.000	1	119.2820	0.000	1	115.8682	8.308	5	115.8682	8.308	5
622	478	478	6:SP3_SP3_SP3	O[6,6]	C[4,6,6]	C[4,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[4,6,6]-4:C[4,6,6]-4:	C[4,5,6,6]-4:C[4,6,6]-4:O[6,6]-2:H-1:	C[4,6,6]-4:C[4,6,6]-4:O[6,6]-2:H-1:	O[6,6](C[4,6,6]C[4,5,6,6]C[4,6,6]H)(C[4,6,6]C[4,6,6]2H)	C[4,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6,6]O[5])(C[4,6,6]C[4,5,6,6]O[6,6]H)(O[6,6]C[4,6,6])(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[5,6,6]H)(C[4,6,6]C[4,6,6]O[6,6]H)(O[6,6]C[4,6,6])(H)	O[6,6](C[4,6,6]C[4,5,6,6]C[4,6,6]H)(C[4,6,6]C[4,6,6]2H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6,6]O[5])(C[4,6,6]C[4,5,6,6]O[6,6]H)(O[6,6]C[4,6,6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[4,6,6](C[4,6,6]C[4,6,6]C[5,6,6]H)(C[4,6,6]C[4,6,6]O[6,6]H)(O[6,6]C[4,6,6])(H){2|C<3>,2|C<4>,2|H<1>}	111.6825	0.107	2	111.6825	0.011	2	111.6825	0.011	2	111.6825	0.011	2	113.9730	15.745	3	112.7676	10.652	5
622	478	478	6:SP3_SP3_SP3	O[6,6]	C[4,6,6]	C[4,6,6]	4:4:	4:4:2:4:	4:4:2:4:	C[4,6,6]-4:C[4,6,6]-4:	C[4,6,6]-4:C[4,6,6]-4:O[6,6]-2:C-4:	C[4,6,6]-4:C[4,6,6]-4:O[6,6]-2:C-4:	O[6,6](C[4,6,6]C[4,6,6]2C)2	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(O[6,6]C[4,6,6])(CH3)	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(O[6,6]C[4,6,6])(CH3)	O[6,6](C[4,6,6]C[4,6,6]2C)2{4|C<3>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(O[6,6]C[4,6,6])(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]C[6,6]C)2(O[6,6]C[4,6,6])(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	113.9730	15.745	3	112.7676	10.652	5
622	478	478	6:SP3_SP3_SP3	O[6]	C[4,6]	C[4,6]	4:4:	4:4:2:1:	4:4:2:2:	C[4,6]-4:C[4,6]-4:	C[4,6]-4:C[4]-4:O[6]-2:H-1:	C[4,6]-4:C[4]-4:O[6]-2:O-2:	O[6](C[4,6]C[4,6]C[4]H)(C[4,6]C[4,6]C[4]O)	C[4,6](C[4,6]C[4]O[6]O)(C[4]C[4]HH)(O[6]C[4,6])(H)	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]HH)(O[6]C[4,6])(OC)	O[6](C[4,6]C[4,6]C[4]H)(C[4,6]C[4,6]C[4]O){2|C<4>,2|O<2>,5|H<1>}	C[4,6](C[4,6]C[4]O[6]O)(C[4]C[4]HH)(O[6]C[4,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]HH)(O[6]C[4,6])(OC){2|C<4>,3|H<1>}	110.9595	0.469	2	110.9595	0.220	2	110.9595	0.220	2	110.9595	0.220	2	110.9595	0.220	2	112.7676	10.652	5
622	478	486	6:SP3_SP3_SP3	O[6]	C[4,5,6]	C[3,6]	4:4:	4:3:2:2:	4:2:4:4:	C[4,5,6]-4:C[3,6]-4:	C[4,5,6]-4:N[5]-3:O[4]-2:O[6]-2:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	O[6](C[4,5,6]C[4,5,6]N[5]O[4])(C[3,6]C[3,6]C[3]2)	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6])	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	O[6](C[4,5,6]C[4,5,6]N[5]O[4])(C[3,6]C[3,6]C[3]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6]){3|C<4>,4|C<3>}	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	112.7415	0.597	2	112.7415	0.597	2
622	478	486	6:SP3_SP3_SP3	O[6]	C[4,5,6]	C[3,6]	4:4:	4:4:3:2:	4:2:4:4:	C[4,5,6]-4:C[3,6]-4:	C[4,5]-4:C[4,5,6]-4:C[5,6a]-3:O[6]-2:	C[3,6]-4:O[6]-2:C[3]-4:C[3]-4:	O[6](C[4,5,6]C[4,5,6]C[5,6a]C[4,5])(C[3,6]C[3,6]C[3]2)	C[4,5,6](C[4,5]C[5,6a]C[5]O[4])(C[4,5,6]N[5]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[3,6])	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2	O[6](C[4,5,6]C[4,5,6]C[5,6a]C[4,5])(C[3,6]C[3,6]C[3]2){1|N<3>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[4,5,6](C[4,5]C[5,6a]C[5]O[4])(C[4,5,6]N[5]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[3,6]){1|H<1>,1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[3,6](C[3,6]C[3]2O[6])(O[6]C[4,5,6])(C[3]C[3]HH)2{1|C<3>,2|C<4>,4|H<1>}	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.7415	0.597	2	112.7415	0.597	2
622	478	643	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6,6a]	3:4:	2:4:4:3:	3:3:2:	C[6,6a]-3:C[4,6]-4:	O[6]-2:C[4]-4:C[4]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2C[6])	C[4,6](O[6]C[6,6a])(C[4]C[4]HH)2(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[4,6](O[6]C[6,6a])(C[4]C[4]HH)2(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	118.0848	7.674	19	118.0848	7.674	19
622	478	643	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6,6a]	3:4:	4:4:2:1:	3:3:2:	C[6,6a]-3:C[4,6]-4:	C[4,6]-4:C[4,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)	C[4,6](C[4,6]C[4,6]C[6]H)2(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H){1|C<4>,3|H<1>,4|C<3>}	C[4,6](C[4,6]C[4,6]C[6]H)2(O[6]C[6,6a])(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	115.6767	4.501	4	115.6767	20.258	4	115.6767	20.258	4	115.6767	20.258	4	118.0848	7.674	19	118.0848	7.674	19
622	478	643	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6,6a]	3:4:	4:4:2:3:	3:3:2:	C[6,6a]-3:C[4,6]-4:	C[4,6]-4:C[4,6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]C)(O[6]C[6,6a])(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]C)(O[6]C[6,6a])(CNO){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.1835	1.100	10	119.1835	1.210	10	119.1428	1.158	13	119.1428	1.158	13	118.0848	7.674	19	118.0848	7.674	19
622	478	643	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6,6a]	3:4:	4:4:2:3:	3:3:2:	C[6,6a]-3:C[4,6]-4:	C[4,6]-4:C[4,6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]C)(O[6]C[6,6a])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]C)(O[6]C[6,6a])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.0073	1.210	3	119.0073	1.464	3	119.1428	1.158	13	119.1428	1.158	13	118.0848	7.674	19	118.0848	7.674	19
622	478	643	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6,6a]	4:3:	4:4:3:2:	3:3:2:	C[4,6]-4:C[6,6a]-3:	C[4,6]-4:C[4,6]-4:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[4,6]C[4,6]2C[6a])(C[6,6a]C[6,6a]2)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6])	O[6](C[4,6]C[4,6]2C[6a])(C[6,6a]C[6,6a]2){1|C<4>,2|H<1>,7|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.0848	7.674	19	118.0848	7.674	19
622	478	762	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6]	4:3:	3:4:4:2:	3:2:1:	C[4,6]-4:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[4,6]C[6,6a]C[4,6]C[4])(C[6]N[6]O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6])	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	O[6](C[4,6]C[6,6a]C[4,6]C[4])(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	119.4370	0.000	1	120.1050	0.892	2	120.1050	0.892	2	120.1050	0.892	2	120.2100	0.479	3	120.2100	0.479	3
622	478	762	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6]	4:3:	3:4:4:2:	3:2:1:	C[4,6]-4:C[6]-3:	C[6,6a]-3:C[4,6]-4:C[4]-4:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[4,6]C[6,6a]C[4,6]C[4])(C[6]N[6]O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6])	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	O[6](C[4,6]C[6,6a]C[4,6]C[4])(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	120.7730	0.000	1	120.1050	0.892	2	120.1050	0.892	2	120.1050	0.892	2	120.2100	0.479	3	120.2100	0.479	3
622	478	762	6:SP2_SP2_SP3	O[6]	C[4,6]	C[6]	4:3:	4:4:2:3:	2:3:1:	C[4,6]-4:C[6]-3:	C[4,6]-4:C[4]-4:O[6]-2:C-3:	O[6]-2:C[6]-3:O-1:	O[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(O[6]C[6])(CCH)	C[6](O[6]C[4,6])(C[6]C[6]H)(O)	O[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(O[6]C[6])(CCH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](O[6]C[4,6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.2100	0.479	3	120.2100	0.479	3
622	478	818	6:SP2_SP2_SP3	O[6]	C[4,5,6]	C[5,6]	4:3:	4:3:4:2:	3:2:3:	C[4,5,6]-4:C[5,6]-3:	C[4,5,6]-4:C[5]-3:C[4]-4:O[6]-2:	C[5,6]-3:O[6]-2:C[5]-3:	O[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[5,6]C[5,6]C[5])	C[4,5,6](C[4,5,6]C[4]C[6]O[5])(C[5]C[6a]C[5])(C[4]C[4]HH)(O[6]C[5,6])	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	O[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[5,6]C[5,6]C[5]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,5,6](C[4,5,6]C[4]C[6]O[5])(C[5]C[6a]C[5])(C[4]C[4]HH)(O[6]C[5,6]){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1
622	478	846	6:SP2_SP2_SP3	O[6]	C[4,6]	C[4,6]	4:3:	3:4:2:4:	4:2:3:	C[4,6]-4:C[4,6]-3:	C[4,6]-3:C[4]-4:O[6]-2:C-4:	C[4,6]-4:O[6]-2:C[4]-3:	O[6](C[4,6]C[4,6]C[4]C)(C[4,6]C[4,6]C[4])	C[4,6](C[4,6]C[4]O[6])(C[4]C[4]HH)(O[6]C[4,6])(CC3)	C[4,6](C[4,6]C[4]O[6]C)(O[6]C[4,6])(C[4]C[4]C)	O[6](C[4,6]C[4,6]C[4]C)(C[4,6]C[4,6]C[4]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]O[6])(C[4]C[4]HH)(O[6]C[4,6])(CC3){1|C<3>,2|C<4>}	C[4,6](C[4,6]C[4]O[6]C)(O[6]C[4,6])(C[4]C[4]C){1|C<3>,2|C<4>,2|H<1>}	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1
622	478	874	6:SP3_SP3_SP3	O[6]	C[4,6]	B[6]	4:4:	4:4:3:2:	2:3:1:1:	C[4,6]-4:B[6]-4:	C[4,6]-4:C[4,6]-4:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:F-1:F-1:	O[6](C[4,6]C[4,6]2C[6a])(B[6]N[6]FF)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6a]C[6a]2)(O[6]B[6])	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	O[6](C[4,6]C[4,6]2C[6a])(B[6]N[6]FF){2|C<4>,2|H<1>,4|C<3>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6a]C[6a]2)(O[6]B[6]){1|O<2>,2|C<4>,2|F<1>,2|H<1>,2|N<3>,3|C<3>}	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	119.5630	1.343	3	119.5630	1.803	3	119.5630	1.803	3	119.5630	1.803	3	119.5630	1.803	3	119.5630	1.803	3
622	486	643	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6a]	3:4:	2:4:4:3:	3:3:2:	C[6,6a]-3:C[3,6]-4:	O[6]-2:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<4>,3|C<3>,4|H<1>}	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6]){2|C<3>,2|H<1>,3|C<4>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	116.6571	2.663	7	116.6571	2.663	7
622	486	643	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6a]	3:4:	2:4:4:4:	3:3:2:	C[6,6a]-3:C[3,6]-4:	O[6]-2:C[3]-4:C[3]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6]){2|C<3>,2|C<4>,6|H<1>}	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,3|C<4>,4|H<1>}	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	116.6571	2.663	7	116.6571	2.663	7
622	486	643	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H){2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	116.6571	2.663	7	116.6571	2.663	7
622	486	643	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6a]	3:4:	4:3:2:2:	3:3:2:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.7840	0.000	1	117.4910	0.079	3	117.4910	0.079	3	117.4910	0.079	3	116.6571	2.663	7	116.6571	2.663	7
622	486	643	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6a]	3:4:	4:3:2:2:	3:3:2:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	117.3445	0.170	2	117.4910	0.079	3	117.4910	0.079	3	117.4910	0.079	3	116.6571	2.663	7	116.6571	2.663	7
622	486	643	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6a]	3:4:	4:4:2:3:	3:3:2:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:C[3]-4:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C){1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.6571	2.663	7	116.6571	2.663	7
622	486	762	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6]	3:4:	4:4:2:3:	3:4:2:	C[6,6]-3:C[3,6]-4:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6])	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	O[6](C[6,6]C[6,6]C[6])(C[3,6]C[3]2C[6]){1|C<4>,3|C<3>,6|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.0715	0.112	4	118.1069	1.083	7
622	486	762	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6]	4:3:	4:2:2:2:	3:4:2:	C[3,6]-4:C[6,6]-3:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	118.0715	0.112	4	118.1069	1.083	7
622	486	762	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6]	4:3:	4:3:2:2:	3:3:2:	C[3,6]-4:C[6,6]-3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6])	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	118.0715	0.112	4	118.1069	1.083	7
622	486	762	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6,6]	4:3:	4:3:2:2:	3:4:2:	C[3,6]-4:C[6,6]-3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-4:O[6]-2:	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	118.0715	0.112	4	118.1069	1.083	7
622	486	762	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6]	4:3:	3:4:3:2:	3:3:2:	C[3,6]-4:C[6]-3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[3,6])	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	116.2070	0.000	1	116.2070	0.000	1	116.2070	0.000	1	116.2070	0.000	1	118.1540	3.076	3	118.1069	1.083	7
622	486	762	6:SP2_SP2_SP3	O[6]	C[3,6]	C[6]	4:3:	4:4:4:2:	3:2:1:	C[3,6]-4:C[6]-3:	C[3,6]-4:C[3]-4:C[3]-4:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	O[6](C[3,6]C[3,6]C[3]2)(C[6]C[6,6a]O)	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O)	O[6](C[3,6]C[3,6]C[3]2)(C[6]C[6,6a]O){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]2)(C[3]C[3]HH)2(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O){1|N<3>,2|C<3>,3|C<4>}	119.1275	0.682	2	119.1275	0.466	2	119.1275	0.466	2	119.1275	0.466	2	118.1540	3.076	3	118.1069	1.083	7
622	562	658	6:SP3_SP3_SP3	O[6]	Si[5,6]	Si[6]	4:4:	3:3:2:2:	2:2:4:4:	Si[5,6]-4:Si[6]-4:	C[5]-3:C[5]-3:O[6]-2:O[6]-2:	O[6]-2:O[6]-2:C-4:C-4:	O[6](Si[5,6]C[5]2O[6])(Si[6]O[6]CC)	Si[5,6](C[5]C[6a]C[5])2(O[6]Si[6])2	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2	O[6](Si[5,6]C[5]2O[6])(Si[6]O[6]CC){1|Si<4>,4|C<3>}	Si[5,6](C[5]C[6a]C[5])2(O[6]Si[6])2{1|O<2>,4|C<4>,6|C<3>}	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>}	132.8095	0.125	4	132.8095	0.016	4	132.8095	0.016	4	132.8095	0.016	4	132.8095	0.016	4	132.8095	0.016	4
622	562	762	6:SP2_SP2_SP3	O[6]	Si[5,6]	C[6]	4:3:	4:4:2:2:	3:2:3:	Si[5,6]-4:C[6]-3:	C[5]-4:C[5]-4:N[6]-2:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](Si[5,6]C[5]2N[6])(C[6]C[6a]C[6])	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]Si[5,6])(C[6]N[6]C)	O[6](Si[5,6]C[5]2N[6])(C[6]C[6a]C[6]){4|Si<4>,1|N<2>,2|C<4>,3|C<3>}	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]Si[5,6])(C[6]N[6]C){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1
622	562	818	6:SP2_SP2_SP3	O[6]	Si[5,6]	C[5,6]	4:3:	3:4:4:2:	3:3:2:	Si[5,6]-4:C[5,6]-3:	C[6,6a]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](Si[5,6]C[6,6a]C[5]2)(C[5,6]C[5,6]C[5])	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	O[6](Si[5,6]C[6,6a]C[5]2)(C[5,6]C[5,6]C[5]){4|Si<4>,3|C<4>,4|C<3>}	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6]){4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	123.9020	0.000	1	123.9020	0.000	1	123.9020	0.000	1	123.9020	0.000	1	124.1160	0.092	2	124.1160	0.092	2
622	562	818	6:SP2_SP2_SP3	O[6]	Si[5,6]	C[5,6]	4:3:	4:4:4:2:	3:3:2:	Si[5,6]-4:C[5,6]-3:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-3:O[6]-2:	O[6](Si[5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[5])	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	O[6](Si[5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[5]){4|Si<4>,1|H<1>,3|C<4>,4|C<3>}	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	124.3300	0.000	1	124.3300	0.000	1	124.3300	0.000	1	124.3300	0.000	1	124.1160	0.092	2	124.1160	0.092	2
622	578	643	6:SP2_SP2_SPD6	O[6]	Ga[3x5,6,6]	C[6,6a]	6:3:	3:4:4:4:2:2:	3:2:3:	Ga[3x5,6,6]-6:C[6,6a]-3:	N[5,6]-3:N[5,6]-4:N[5,6]-4:N[3x5]-4:O[6]-2:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](Ga[3x5,6,6]N[3x5]N[5,6]3O[6])(C[6,6a]C[6,6a]C[6a])	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H)	O[6](Ga[3x5,6,6]N[3x5]N[5,6]3O[6])(C[6,6a]C[6,6a]C[6a]){3|H<1>,5|C<3>,7|C<4>}	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2{15|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|N<4>,4|H<1>}	128.9095	1.790	4	128.9095	3.205	4	128.9095	3.205	4	128.9095	3.205	4	128.9095	3.205	4	127.3742	3.788	11
622	578	643	6:SP2_SP2_SPD6	O[6]	Ga[4x5,6,6]	C[6,6a]	6:3:	4:4:4:4:2:2:	3:2:3:	Ga[4x5,6,6]-6:C[6,6a]-3:	N[5,5,6]-4:N[5,5,6]-4:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](Ga[4x5,6,6]N[5,5,6]2N[5,5]2O[6])(C[6,6a]C[6,6a]C[6a])	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H)	O[6](Ga[4x5,6,6]N[5,5,6]2N[5,5]2O[6])(C[6,6a]C[6,6a]C[6a]){10|C<4>,3|C<3>,3|H<1>}	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2{20|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,4|N<4>}	127.0325	1.631	2	127.0325	2.661	2	127.0325	2.661	2	127.0325	2.661	2	127.0325	2.661	2	127.3742	3.788	11
622	578	643	6:SP2_SP2_SPD6	O[6]	Ga[5,5,6,6]	C[6,6a]	6:3:	3:3:3:3:2:2:	3:2:3:	Ga[5,5,6,6]-6:C[6,6a]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:O[6]-2:C[6a]-3:	O[6](Ga[5,5,6,6]N[5,6]4O[6])(C[6,6a]C[6,6a]C[6a])	Ga[5,5,6,6](N[5,6]C[5,6]C[6])2(N[5,6]C[5]S[6])2(O[6]C[6,6a])2	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S)	O[6](Ga[5,5,6,6]N[5,6]4O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|S<4>,7|C<3>}	Ga[5,5,6,6](N[5,6]C[5,6]C[6])2(N[5,6]C[5]S[6])2(O[6]C[6,6a])2{4|O<1>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S){1|C<3>,1|O<2>,2|H<1>,2|O<1>,4|N<3>}	126.0225	2.300	2	126.0225	5.291	2	126.0225	5.291	2	126.0225	5.291	2	126.0225	5.291	2	127.3742	3.788	11
622	578	643	6:SP2_SP2_SPD6	O[6]	Ga[5,5,6]	C[6,6a]	3:6:	3:3:3:3:2:2:	3:2:3:	C[6,6a]-3:Ga[5,5,6]-6:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:	C[6,6,6a]-3:O[6]-2:C[6a]-3:	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,5,6]N[5,6]4O[6])	Ga[5,5,6](N[5,6]C[5,6]C[6])4(O[6]C[6,6a])(O[6]C[6,6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H)	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,5,6]N[5,6]4O[6]){11|C<3>,1|H<1>}	Ga[5,5,6](N[5,6]C[5,6]C[6])4(O[6]C[6,6a])(O[6]C[6,6]){11|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H){2|C<3>,3|O<2>,4|N<3>}	128.1350	0.000	1	128.1350	0.000	1	128.1350	0.000	1	128.1350	0.000	1	128.1350	0.000	1	127.3742	3.788	11
622	578	643	6:SP2_SP2_SPD6	O[6]	Ga[5,6]	C[6,6a]	3:6:	3:3:2:2:3:2:	3:3:2:	C[6,6a]-3:Ga[5,6]-6:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,6]N[5,6]2O[6]OO)	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6])	O[6](C[6,6a]C[6,6,6a]C[6a])(Ga[5,6]N[5,6]2O[6]OO){1|H<1>,7|C<3>}	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|O<3>,2|C<3>,2|N<3>,4|O<2>}	125.6165	0.484	2	125.6165	0.235	2	125.6165	0.235	2	125.6165	0.235	2	125.6165	0.235	2	127.3742	3.788	11
622	578	762	6:SP2_SP2_SPD6	O[6]	Ga[3x5,6,6]	C[6]	6:3:	3:3:4:4:2:2:	2:3:4:	Ga[3x5,6,6]-6:C[6]-3:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](Ga[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6]C[6]C)	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3)	O[6](Ga[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6]C[6]C){3|C<3>,3|H<1>,6|C<4>}	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2{12|H<1>,2|C<3>,4|C<4>}	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>,2|N<4>}	126.4330	0.000	1	126.4330	0.000	1	126.4330	0.000	1	126.4330	0.000	1	126.4330	0.000	1	125.9528	2.753	5
622	578	762	6:SP2_SP2_SPD6	O[6]	Ga[5,5,6,6]	C[6]	6:3:	2:2:2:2:2:2:	2:4:1:	Ga[5,5,6,6]-6:C[6]-3:	O[5,6]-2:O[5,6]-2:O[5]-2:O[5]-2:O[6]-2:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](Ga[5,5,6,6]O[5,6]2O[5]2O[6])(C[6]C[6]O)	Ga[5,5,6,6](O[5,6]C[5,6])2(O[5]C[5])2(O[6]C[6])2	C[6](O[6]Ga[5,5,6,6])(C[6]C[5,6]HH)(O)	O[6](Ga[5,5,6,6]O[5,6]2O[5]2O[6])(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	Ga[5,5,6,6](O[5,6]C[5,6])2(O[5]C[5])2(O[6]C[6])2{4|C<4>,4|O<1>}	C[6](O[6]Ga[5,5,6,6])(C[6]C[5,6]HH)(O){1|C<3>,1|C<4>,5|O<2>}	128.3980	0.000	1	128.3980	0.000	1	128.3980	0.000	1	128.3980	0.000	1	128.3980	0.000	1	125.9528	2.753	5
622	578	762	6:SP2_SP2_SPD6	O[6]	Ga[5,5,6]	C[6,6]	6:3:	3:3:3:3:2:2:	3:2:3:	Ga[5,5,6]-6:C[6,6]-3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:	C[6,6,6a]-3:O[6]-2:C[6]-3:	O[6](Ga[5,5,6]N[5,6]4O[6])(C[6,6]C[6,6,6a]C[6])	Ga[5,5,6](N[5,6]C[5,6]C[6])4(O[6]C[6,6a])(O[6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H)	O[6](Ga[5,5,6]N[5,6]4O[6])(C[6,6]C[6,6,6a]C[6]){11|C<3>,1|H<1>}	Ga[5,5,6](N[5,6]C[5,6]C[6])4(O[6]C[6,6a])(O[6]C[6,6]){11|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H){2|O<2>,3|C<3>,4|N<3>}	126.0550	0.000	1	126.0550	0.000	1	126.0550	0.000	1	126.0550	0.000	1	126.0550	0.000	1	125.9528	2.753	5
622	578	762	6:SP2_SP2_SPD6	O[6]	Ga[5,6]	C[6,6]	6:3:	3:3:2:2:3:2:	3:2:3:	Ga[5,6]-6:C[6,6]-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-3:O-2:	C[6,6,6a]-3:O[6]-2:C[6]-3:	O[6](Ga[5,6]N[5,6]2O[6]OO)(C[6,6]C[6,6,6a]C[6])	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON)	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H)	O[6](Ga[5,6]N[5,6]2O[6]OO)(C[6,6]C[6,6,6a]C[6]){1|H<1>,7|C<3>}	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON){2|H<1>,7|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H){1|O<3>,2|N<3>,3|C<3>,3|O<2>}	124.4390	0.458	2	124.4390	0.210	2	124.4390	0.210	2	124.4390	0.210	2	124.4390	0.210	2	125.9528	2.753	5
622	602	643	6:SP2_SP2_SPD6	O[6]	Ga[6x6]	C[6,6a]	6:3:	3:3:3:2:2:2:	3:3:2:	Ga[6x6]-6:C[6,6a]-3:	N[3x6]-3:N[3x6]-3:N[3x6]-3:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](Ga[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a])	Ga[6x6](N[3x6]C[6,6]C[6])3(O[6]C[6,6a])3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6])	O[6](Ga[6x6]N[3x6]3O[6]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,7|C<3>}	Ga[6x6](N[3x6]C[6,6]C[6])3(O[6]C[6,6a])3{1|C<4>,6|C<3>,9|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	126.2567	2.368	3	126.2567	5.608	3	126.2567	5.608	3	126.2567	5.608	3	126.2567	5.608	3	126.2567	5.608	3
622	602	762	6:SP2_SP2_SPD6	O[6]	Ga[3x6]	C[6]	3:6:	2:2:2:2:2:2:	3:2:3:	C[6]-3:Ga[3x6]-6:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6]C[6a]C[6])(Ga[3x6]O[6]5)	Ga[3x6](O[6]C[6])6	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	O[6](C[6]C[6a]C[6])(Ga[3x6]O[6]5){1|H<1>,7|C<3>}	Ga[3x6](O[6]C[6])6{9|C<3>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){1|H<1>,3|C<3>,6|O<2>}	127.2650	1.305	3	126.7528	1.613	6	126.7528	1.613	6	126.7528	1.613	6	126.0000	2.070	27	126.0000	2.070	27
622	602	762	6:SP2_SP2_SPD6	O[6]	Ga[3x6]	C[6]	3:6:	2:2:2:2:2:2:	3:2:3:	C[6]-3:Ga[3x6]-6:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6]C[6a]C[6])(Ga[3x6]O[6]5)	Ga[3x6](O[6]C[6])6	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	O[6](C[6]C[6a]C[6])(Ga[3x6]O[6]5){1|H<1>,7|C<3>}	Ga[3x6](O[6]C[6])6{9|C<3>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){2|H<1>,3|C<3>,5|O<2>}	126.2407	1.242	3	126.7528	1.613	6	126.7528	1.613	6	126.7528	1.613	6	126.0000	2.070	27	126.0000	2.070	27
622	602	762	6:SP2_SP2_SPD6	O[6]	Ga[3x6]	C[6]	6:3:	2:2:2:2:2:2:	2:3:4:	Ga[3x6]-6:C[6]-3:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](Ga[3x6]O[6]5)(C[6]C[6]C)	Ga[3x6](O[6]C[6])6	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	O[6](Ga[3x6]O[6]5)(C[6]C[6]C){1|H<1>,5|C<3>}	Ga[3x6](O[6]C[6])6{2|C<3>,7|C<4>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	125.1842	0.348	4	126.0743	0.535	16	126.0743	0.535	16	126.0743	0.535	16	126.0000	2.070	27	126.0000	2.070	27
622	602	762	6:SP2_SP2_SPD6	O[6]	Ga[3x6]	C[6]	6:3:	2:2:2:2:2:2:	2:3:4:	Ga[3x6]-6:C[6]-3:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](Ga[3x6]O[6]5)(C[6]C[6]C)	Ga[3x6](O[6]C[6])6	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	O[6](Ga[3x6]O[6]5)(C[6]C[6]C){1|H<1>,5|C<3>}	Ga[3x6](O[6]C[6])6{3|C<3>,6|C<4>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	126.3710	0.559	12	126.0743	0.535	16	126.0743	0.535	16	126.0743	0.535	16	126.0000	2.070	27	126.0000	2.070	27
622	602	762	6:SP2_SP2_SPD6	O[6]	Ga[3x6]	C[6]	6:3:	2:2:2:2:2:2:	2:4:4:	Ga[3x6]-6:C[6]-3:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6]-2:C[6]-4:C-4:	O[6](Ga[3x6]O[6]5)(C[6]C[6]C)	Ga[3x6](O[6]C[6])6	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3)	O[6](Ga[3x6]O[6]5)(C[6]C[6]C){2|H<1>,5|C<3>}	Ga[3x6](O[6]C[6])6{2|C<3>,7|C<4>}	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3){1|C<4>,5|O<2>}	125.4195	0.702	2	125.4195	0.493	2	125.4195	0.493	2	125.4195	0.493	2	126.0000	2.070	27	126.0000	2.070	27
622	602	762	6:SP2_SP2_SPD6	O[6]	Ga[3x6]	C[6]	6:3:	3:3:3:2:2:2:	2:3:4:	Ga[3x6]-6:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](Ga[3x6]N[6]3O[6]2)(C[6]C[6]C)	Ga[3x6](N[6]C[6]C)3(O[6]C[6])3	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	O[6](Ga[3x6]N[6]3O[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	Ga[3x6](N[6]C[6]C)3(O[6]C[6])3{3|C<3>,6|C<4>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,2|O<2>,3|N<3>}	124.4853	3.618	3	124.4853	13.093	3	124.4853	13.093	3	124.4853	13.093	3	126.0000	2.070	27	126.0000	2.070	27
622	618	618	6:SP2_SP2_SP2	O[6]	B[6]	B[6]	3:3:	3:2:2:	2:2:2:	B[6]-3:B[6]-3:	O[6]-3:O[6]-2:O-2:	O[6]-2:O[6]-2:O-2:	O[6](B[6]O[6]O)2	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])	B[6](O[6]B[6])2(OH)	O[6](B[6]O[6]O)2{1|Mg<7>,1|B<4>}	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6]){4|O<2>}	B[6](O[6]B[6])2(OH){1|O<3>,3|O<2>}	120.1115	0.392	2	120.1115	0.154	2	120.1115	0.154	2	120.1115	0.154	2	121.0627	2.791	3	121.0627	2.791	3
622	618	618	6:SP2_SP2_SP2	O[6]	B[6]	B[6]	3:3:	3:3:2:	3:3:2:	B[6]-3:B[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](B[6]C[6,6a]C[6a])2	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6])	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6])	O[6](B[6]C[6,6a]C[6a])2{7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,2|C<4>,6|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,2|C<4>,6|C<3>}	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	121.0627	2.791	3	121.0627	2.791	3
622	618	786	6:SP2_SP2_SP3	O[6]	B[6]	B[5,6]	4:3:	3:2:2:	3:4:2:2:	B[5,6]-4:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	O[6](B[5,6]C[5,6a]N[5]O[6])(B[6]C[6a]O[6])	B[6](C[6a]C[6a]2)(O[6]B[5,6])2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	O[6](B[5,6]C[5,6a]N[5]O[6])(B[6]C[6a]O[6]){1|B<4>,3|C<4>,4|C<3>}	B[6](C[6a]C[6a]2)(O[6]B[5,6])2{1|C<4>,1|H<1>,1|O<2>,2|N<4>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	120.9565	0.398	2	120.9565	0.158	2	120.9565	0.158	2	120.9565	0.158	2	120.9565	0.158	2	120.9565	0.158	2
622	618	811	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6a]	4:3:	2:2:2:	2:2:2:2:	B[6,6a]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O)	B[6](O[6]B[6,6a])(O[6]B[6,6])(OH)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O){1|B<4>,2|B<3>}	B[6](O[6]B[6,6a])(O[6]B[6,6])(OH){5|O<2>}	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	120.9135	0.890	2	120.9135	0.793	2	121.7834	0.903	8	121.7834	0.903	8	121.6171	0.993	10	121.6171	0.993	10
622	618	811	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6a]	4:3:	2:2:2:	2:2:2:2:	B[6,6a]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O)	B[6](O[6]B[6,6a])2(OH)	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O){1|B<4>,2|B<3>}	B[6](O[6]B[6,6a])2(OH){5|O<2>}	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	122.0733	0.838	6	122.0733	0.702	6	121.7834	0.903	8	121.7834	0.903	8	121.6171	0.993	10	121.6171	0.993	10
622	618	811	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6a]	4:3:	3:2:2:	3:4:2:2:	B[6,6a]-4:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6])	B[6](C[6a]C[6a]2)(O[6]B[6,6a])2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6]){1|B<4>,1|N<2>,2|C<4>,4|C<3>}	B[6](C[6a]C[6a]2)(O[6]B[6,6a])2{1|H<1>,1|O<2>,2|N<4>,5|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	120.9520	1.229	2	120.9520	1.510	2	120.9520	1.510	2	120.9520	1.510	2	121.6171	0.993	10	121.6171	0.993	10
622	618	856	6:SP2_SP2_SP3	O[6]	B[6]	N[6]	3:3:	3:2:2:	4:4:2:	B[6]-3:N[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C-4:O[6]-2:	O[6](B[6]C[6a]O[6])(N[6]C[6]C)	B[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]N[6])	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	O[6](B[6]C[6a]O[6])(N[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	B[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]N[6]){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	2:2:2:2:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	B[6](O[6]B[6,6])2(OH){5|O<2>}	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	118.7789	1.659	10	118.7789	2.753	10	118.7789	2.753	10	119.0993	3.281	12	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	2:2:2:2:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	O[6](B[6,6]O[6]3)(B[6]O[6]O)	B[6](O[6]B[6,6a])(O[6]B[6,6])(OH)	B[6,6](O[6]B[6,6a])2(O[6]B[6])2	O[6](B[6,6]O[6]3)(B[6]O[6]O){1|B<3>,2|B<4>}	B[6](O[6]B[6,6a])(O[6]B[6,6])(OH){5|O<2>}	B[6,6](O[6]B[6,6a])2(O[6]B[6])2{8|O<2>}	120.7015	2.271	2	120.7015	5.155	2	120.7015	5.155	2	119.0993	3.281	12	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	3:2:2:2:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	B[6](O[6]B[6,6])2(OH){2|O<3>,3|O<2>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	122.4700	2.011	2	122.4700	4.044	2	122.4700	4.044	2	120.3900	9.336	6	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	3:2:2:2:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6,6]-3:O[6]-2:O[6]-2:O-2:	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|Zn<4>,1|B<3>,1|B<4>}	B[6](O[6]B[6,6])2(OH){1|O<3>,4|O<2>}	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH){5|O<2>}	119.3500	3.144	4	119.3500	9.885	4	119.3500	9.885	4	120.3900	9.336	6	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	3:2:2:3:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	B[6](O[6]B[6,6])2(OH){2|O<2>,3|O<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC){2|O<3>,6|O<2>}	122.1205	2.504	2	122.1205	6.269	2	122.5446	2.456	8	122.5446	2.456	8	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	3:2:2:3:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	B[6](O[6]B[6,6])2(OH){2|O<2>,3|O<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC){2|O<3>,6|O<2>}	122.2235	2.511	2	122.2235	6.305	2	122.5446	2.456	8	122.5446	2.456	8	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	3:2:2:3:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	B[6](O[6]B[6,6])2(OH){2|O<2>,3|O<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	122.2150	1.065	2	122.9172	1.166	4	122.5446	2.456	8	122.5446	2.456	8	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	2:2:2:	3:2:2:3:	B[6,6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6,6])2(OH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	B[6](O[6]B[6,6])2(OH){2|O<3>,3|O<2>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	123.6195	0.626	2	122.9172	1.166	4	122.5446	2.456	8	122.5446	2.456	8	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	3:2:2:	2:2:3:2:	B[6,6]-4:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6])	B[6](C[6a]C[6a]2)(O[6]B[6,6])2	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6]){1|B<4>,1|C<4>,4|C<3>}	B[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|C<3>,2|H<1>,2|N<3>,3|O<2>}	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	119.8390	1.013	2	119.8390	1.025	2	119.8390	1.025	2	119.8390	1.025	2	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6,6]	4:3:	3:2:2:	3:3:3:2:	B[6,6]-4:B[6]-3:	O[6]-3:O[6]-2:O-2:	O[6]-3:O[6]-3:O[6]-3:O[6]-2:	O[6](B[6,6]O[6]3)(B[6]O[6]O)	B[6](O[6]B[6,6]Mg)(O[6]B[6,6])(OB[6])	B[6,6](O[6]B[6,6]Mg)(O[6]B[6]Mg)2(O[6]B[6])	O[6](B[6,6]O[6]3)(B[6]O[6]O){1|Mg<9>,3|Mg<7>,1|B<3>,2|B<5>}	B[6](O[6]B[6,6]Mg)(O[6]B[6,6])(OB[6]){1|Mg<9>,5|O<3>}	B[6,6](O[6]B[6,6]Mg)(O[6]B[6]Mg)2(O[6]B[6]){4|O<2>,4|O<3>}	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	120.5429	6.157	29	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6]	4:3:	2:2:2:	3:2:2:2:	B[6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6]-3:O[6]-2:O-2:O-2:	O[6](B[6]O[6]OO)(B[6]O[6]O)	B[6](O[6]B[6])2(OH)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB)	O[6](B[6]O[6]OO)(B[6]O[6]O){1|Mg<7>,1|B<3>}	B[6](O[6]B[6])2(OH){1|O<3>,3|O<2>}	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB){3|O<2>}	122.8230	0.000	1	122.8230	0.000	1	123.1340	0.193	2	123.1340	0.193	2	122.6410	2.802	10	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6]	4:3:	2:2:2:	3:2:2:2:	B[6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6]-3:O[6]-2:O-2:O-2:	O[6](B[6]O[6]OO)(B[6]O[6]O)	B[6](O[6]B[6])2(OH)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2	O[6](B[6]O[6]OO)(B[6]O[6]O){1|Mg<7>,1|B<3>}	B[6](O[6]B[6])2(OH){1|O<3>,3|O<2>}	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2{3|O<2>}	123.4450	0.000	1	123.4450	0.000	1	123.1340	0.193	2	123.1340	0.193	2	122.6410	2.802	10	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6]	4:3:	2:2:2:	3:2:2:3:	B[6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	O[6]-3:O[6]-2:O-2:O-3:	O[6](B[6]O[6]OO)(B[6]O[6]O)	B[6](O[6]B[6])2(OH)	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV)	O[6](B[6]O[6]OO)(B[6]O[6]O){1|B<4>,1|V<5>}	B[6](O[6]B[6])2(OH){2|O<2>,3|O<3>}	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV){1|O<3>,3|O<2>}	121.7945	1.443	2	121.7945	2.083	2	121.7945	2.083	2	121.7945	2.083	2	122.6410	2.802	10	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6]	4:3:	2:2:2:	3:3:2:2:	B[6]-4:B[6]-3:	O[6]-2:O[6]-2:O-2:	C[6]-3:O[6]-3:O[6]-2:O-2:	O[6](B[6]C[6]O[6]O)(B[6]O[6]O)	B[6](O[6]B[6])2(OH)	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH)	O[6](B[6]C[6]O[6]O)(B[6]O[6]O){1|Ir<8>,1|B<4>,1|C<3>,1|N<3>}	B[6](O[6]B[6])2(OH){1|O<3>,2|C<3>,2|O<2>}	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH){1|H<1>,3|C<3>,3|O<2>}	123.2235	0.856	2	123.2235	0.733	2	123.2235	0.733	2	123.2235	0.733	2	122.6410	2.802	10	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6]	4:3:	3:2:2:	3:3:2:2:	B[6]-4:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	O[6](B[6]C[6a]2O[6])(B[6]C[6a]O[6])	B[6](C[6a]C[6a]2)(O[6]B[6])2	B[6](C[6a]C[6a]2)2(O[6]B[6])2	O[6](B[6]C[6a]2O[6])(B[6]C[6a]O[6]){1|B<4>,6|C<3>}	B[6](C[6a]C[6a]2)(O[6]B[6])2{1|O<2>,2|F<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	122.5645	4.407	2	122.5645	19.425	2	122.5645	19.425	2	122.5645	19.425	2	122.6410	2.802	10	121.0809	6.061	39
622	618	874	6:SP2_SP2_SP3	O[6]	B[6]	B[6]	4:3:	3:2:2:	3:3:3:2:	B[6]-4:B[6]-3:	C[6a]-3:O[6]-2:O[6]-2:	N[5]-3:C[6a]-3:O[6]-3:O[6]-2:	O[6](B[6]C[6a]N[5]O[6])(B[6]C[6a]O[6])	B[6](C[6a]C[6a]2)(O[6]B[6])2	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6])	O[6](B[6]C[6a]N[5]O[6])(B[6]C[6a]O[6]){1|Ru<9>,1|B<4>,1|N<3>,5|C<3>}	B[6](C[6a]C[6a]2)(O[6]B[6])2{1|O<3>,2|H<1>,2|N<3>,4|C<3>}	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6]){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	122.4885	0.351	2	122.4885	0.124	2	122.4885	0.124	2	122.4885	0.124	2	122.6410	2.802	10	121.0809	6.061	39
622	622	622	6:SP3_SP3_SP3	O[6]	O[6]	O[6]	2:2:	2:2:	2:2:	O[6]-2:O[6]-2:	O[6]-2:O[6]-2:	O[6]-2:O[6]-2:	O[6](O[6]O[6])2	O[6](O[6]O[6])2	O[6](O[6]O[6])2	O[6](O[6]O[6])2{1|O<2>}	O[6](O[6]O[6])2{1|O<2>}	O[6](O[6]O[6])2{1|O<2>}	110.8175	12.986	2	110.8175	168.637	2	110.8175	168.637	2	110.8175	168.637	2	110.8175	168.637	2	110.8175	168.637	2
622	622	762	6:SP2_SP2_SP3	O[6]	O[6]	C[6]	3:2:	4:2:	4:2:1:	C[6]-3:O[6]-2:	C[6]-4:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6]C[6]O)(O[6]C[6])	O[6](C[6]C[6]CO)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]O[6])(O)	O[6](C[6]C[6]O)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CO)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]O[6])(O){1|C<4>,2|H<1>}	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1
622	622	811	6:SP3_SP3_SP3	O[6,6]	O[6,6]	B[6,6,6a]	4:2:	4:2:	3:3:2:3:	B[6,6,6a]-4:O[6,6]-2:	B[6,6,6a]-4:O[6,6]-2:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a])	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a])	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a]){2|N<3>,5|C<3>}	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a]){2|N<3>,5|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	113.0870	0.191	2	113.0870	0.036	2	113.0870	0.036	2	113.0870	0.036	2	113.0870	0.036	2	113.0870	0.036	2
622	622	856	6:SP3_SP2_SP3	O[6]	O[6]	N[6]	3:2:	3:2:	2:2:1:	N[6]-3:O[6]-2:	N[6]-3:O[6]-2:	O[6]-2:O[6]-2:O-1:	O[6](N[6]O[6]O)(O[6]N[6])	O[6](N[6]O[6]O)(O[6]N[6])	N[6](O[6]O[6])2(O)	O[6](N[6]O[6]O)(O[6]N[6]){1|O<1>,1|O<2>}	O[6](N[6]O[6]O)(O[6]N[6]){1|O<1>,1|O<2>}	N[6](O[6]O[6])2(O){1|N<3>}	116.7742	32.637	2	116.7742	1065.165	2	116.7742	1065.165	2	116.7742	1065.165	2	116.7742	1065.165	2	116.7742	1065.165	2
622	622	874	6:SP3_SP3_SP3	O[6,6]	O[6,6]	B[3x6]	4:2:	4:2:	3:3:2:3:	B[3x6]-4:O[6,6]-2:	B[3x6]-4:O[6,6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[5]-3:	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6])	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6])	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2)	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6]){2|N<3>,5|C<3>}	O[6,6](B[3x6]C[6,6,6a]2C[5])(O[6,6]B[3x6]){2|N<3>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[5]N[5]2){1|B<4>,2|H<1>,8|C<3>}	110.9435	2.088	2	110.9435	4.360	2	110.9435	4.360	2	110.9435	4.360	2	110.9435	4.360	2	110.9435	4.360	2
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,3|C<3>,3|H<1>}	119.1335	0.015	2	119.1335	0.000	2	119.1335	0.000	2	118.9013	0.162	3	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|C<3>,4|H<1>}	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	118.9013	0.162	3	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6a]-2:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	116.7015	0.291	2	116.7015	0.084	2	117.0267	0.177	4	117.2582	1.059	9	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6a]-2:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	117.3520	0.148	2	117.3520	0.022	2	117.0267	0.177	4	117.2582	1.059	9	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N[6a]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.7990	0.000	1	118.4057	0.281	3	117.4434	1.889	5	117.2582	1.059	9	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N[6a]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|S<2>,2|N<3>,3|C<3>}	118.7090	0.096	2	118.4057	0.281	3	117.4434	1.889	5	117.2582	1.059	9	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N[6a]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	116.0000	0.226	2	116.0000	0.051	2	117.4434	1.889	5	117.2582	1.059	9	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	115.4280	0.287	2	115.4280	0.082	2	115.4280	0.082	2	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a]){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,4|C<3>}	120.4350	0.140	2	120.4350	0.020	2	120.4350	0.020	2	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	118.9067	0.029	3	118.9067	0.001	3	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<3>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	115.2760	0.242	2	118.1252	1.743	14	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	118.8497	0.633	6	118.1252	1.743	14	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|C<2>,1|H<1>,1|P<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	118.3505	0.425	6	118.1252	1.743	14	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	116.6700	0.373	2	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	116.3210	0.601	2	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	114.9696	0.264	5	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	118.8707	0.263	6	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	118.2316	0.617	37	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	118.4830	2.184	2	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	118.0857	1.296	15	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<1>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<1>,1|H<1>,1|O<2>,4|C<3>}	117.7022	0.381	12	117.8926	1.338	81	117.9569	1.373	98	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	116.7380	0.000	1	116.7380	0.000	1	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	117.4660	0.000	1	116.0883	11.647	3	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	115.3995	4.522	2	116.0883	11.647	3	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	118.1250	0.000	1	118.1250	0.000	1	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	118.9970	0.530	3	118.7560	0.204	6	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	118.5150	0.236	3	118.7560	0.204	6	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	116.6615	0.663	4	117.0547	0.400	9	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	117.2950	0.468	4	117.0547	0.400	9	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	117.6660	0.000	1	117.0547	0.400	9	117.4578	2.404	20	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,4|C<3>}	120.3130	0.096	2	120.5288	0.074	31	120.5288	0.074	31	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	120.6130	0.000	1	120.5288	0.074	31	120.5288	0.074	31	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	120.5413	0.280	28	120.5288	0.074	31	120.5288	0.074	31	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,5|C<3>}	119.1650	0.000	1	119.1650	0.000	1	119.6435	2.046	13	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	118.7200	0.000	1	119.9505	2.013	8	119.6435	2.046	13	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	120.1263	1.435	7	119.9505	2.013	8	119.6435	2.046	13	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]O)(O[6]C[6,6a]){6|C<3>}	118.5235	0.284	2	118.5235	0.080	2	119.6435	2.046	13	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	119.7750	2.618	2	119.7750	6.852	2	119.6435	2.046	13	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]2)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]2)2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	118.0290	0.000	1	118.0290	0.000	1	119.4610	4.101	2	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]2)2{2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.8930	0.000	1	120.8930	0.000	1	119.4610	4.101	2	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6,6a]){1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	115.1230	0.191	2	115.1230	0.036	2	117.5173	3.175	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	118.2082	0.717	4	118.2082	0.514	4	117.5173	3.175	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,3|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	119.5420	0.000	1	119.5420	0.000	1	117.5173	3.175	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	114.4060	0.000	1	116.7315	10.816	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	119.0570	0.000	1	116.7315	10.816	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	117.6777	0.910	9	117.6777	0.829	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.2260	0.285	3	118.4176	0.134	5	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	118.7050	0.311	2	118.4176	0.134	5	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	119.7940	0.018	2	119.7940	0.000	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	119.2900	0.614	3	119.2900	0.377	3	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	118.3231	0.225	7	118.3231	0.051	7	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.4995	0.287	4	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|H<1>,5|C<3>}	118.8620	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.9635	0.996	2	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	118.2620	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	118.6587	0.476	3	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.3660	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	118.2140	0.653	2	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.3160	0.844	10	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	118.3990	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	118.8740	0.194	2	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	118.1960	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	117.7388	0.415	5	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	116.6870	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	118.3800	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	118.2596	0.494	59	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	118.6767	0.199	3	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	117.2400	0.000	1	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	118.5954	0.596	8	118.2682	0.357	106	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	118.5080	0.000	1	118.5080	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	118.8023	0.443	3	118.8023	0.197	3	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	116.7572	0.160	4	117.9002	1.351	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	119.2750	0.126	2	117.9002	1.351	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	118.7635	0.460	2	117.9002	1.351	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	117.9960	0.000	1	117.9002	1.351	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	117.3950	0.400	3	117.3950	0.160	3	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	118.7823	0.110	3	118.7823	0.012	3	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	118.2860	0.000	1	118.2860	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	118.0170	0.000	1	118.0170	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	120.6370	0.000	1	120.6370	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	119.9900	0.000	1	119.9900	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	118.7080	0.000	1	118.7080	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	117.8582	1.920	14	117.8582	3.684	14	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	117.7390	0.000	1	117.7390	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	116.8100	2.397	4	117.0485	2.677	15	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<3>,1|C<4>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	117.3020	0.000	1	117.0485	2.677	15	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	115.4240	0.000	1	117.0485	2.677	15	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|B<4>,1|C<4>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	117.3069	1.445	9	117.0485	2.677	15	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Bi<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	116.4990	0.000	1	116.4990	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	118.5940	0.000	1	118.6269	2.127	23	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	118.5832	1.265	15	118.6269	2.127	23	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,4|C<3>}	121.7300	0.000	1	118.6269	2.127	23	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	120.0100	0.000	1	118.6269	2.127	23	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	117.8672	1.576	5	118.6269	2.127	23	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	118.4730	0.000	1	118.4730	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	118.9000	0.260	2	118.9000	0.068	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	119.0680	0.000	1	119.0680	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	120.2060	0.048	2	120.2060	0.002	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	118.5210	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.1770	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.6085	0.747	2	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.8330	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	116.2540	0.740	2	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	117.5600	0.468	2	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<4>,1|O<2>,4|C<3>}	119.7840	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	118.4850	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	118.5850	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	118.3972	0.497	21	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,3|C<3>,3|H<1>}	115.3090	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	118.4660	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	116.7500	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	118.6530	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	118.4154	0.830	8	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	120.3040	0.437	2	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	121.1980	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	120.4199	0.120	8	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	121.0245	0.026	2	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,3|C<3>}	119.9630	0.000	1	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	116.1950	1.778	3	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	120.0790	0.451	3	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	116.4885	2.012	11	118.3611	2.833	76	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	117.6290	0.915	2	116.7923	2.250	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	116.5533	1.600	7	116.7923	2.250	9	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	117.9180	0.454	2	117.9180	0.206	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	117.8990	1.597	2	115.3575	3.271	69	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	115.2816	1.769	67	115.3575	3.271	69	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|P<3>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,5|C<3>}	116.9110	0.000	1	116.9110	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a]){1|Cu<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a]){1|Cu<4>,2|C<4>,2|H<1>,5|C<3>}	114.9540	0.000	1	114.9540	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	115.8237	2.714	12	115.8237	7.366	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	120.4020	0.000	1	116.8861	7.828	10	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	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>}	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>}	118.1900	0.000	1	116.8861	7.828	10	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	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>}	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>}	114.6830	0.516	3	116.8861	7.828	10	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	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>}	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>}	122.4020	0.000	1	116.8861	7.828	10	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ni<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ni<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.7030	0.000	1	116.8861	7.828	10	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Si<4>,1|C<4>,4|C<3>}	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>}	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>}	116.3717	1.630	3	116.8861	7.828	10	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<3>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.0770	0.000	1	119.0770	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Sn<2>,1|Sn<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	111.9040	0.000	1	116.5800	21.944	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Sn<2>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	120.7630	0.000	1	116.5800	21.944	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Sn<3>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	113.1970	0.000	1	116.5800	21.944	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{2|Sn<4>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	120.4560	0.000	1	116.5800	21.944	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	118.1530	0.000	1	118.1530	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	119.4640	0.318	2	118.5213	2.772	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	117.5785	2.159	2	118.5213	2.772	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,3|C<3>}	119.4090	0.000	1	119.4090	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Am<9>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Am<9>,1|H<1>,1|O<2>,3|C<3>}	120.3833	0.389	3	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Co<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Co<6>,1|H<1>,1|O<2>,3|C<3>}	120.4640	0.000	1	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cr<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cr<6>,1|H<1>,1|O<2>,3|C<3>}	119.8035	0.803	2	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<6>,1|H<1>,1|O<2>,3|C<3>}	121.3930	0.000	1	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	120.0200	0.000	1	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mo<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Mo<6>,1|H<1>,1|O<2>,3|C<3>}	118.7285	0.069	2	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	120.7680	0.000	1	120.0781	0.738	11	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,3|H<1>}	118.0040	0.000	1	118.0040	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){3|C<3>,3|H<1>}	118.3560	0.000	1	118.3815	0.001	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<5>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|Cu<5>,2|H<1>,3|C<3>}	118.4070	0.000	1	118.3815	0.001	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	118.3730	0.000	1	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	113.5120	0.202	2	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	116.4845	0.794	2	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	114.6850	0.000	1	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	115.3800	2.787	2	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	115.3300	0.000	1	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	117.3271	1.395	62	117.0904	2.476	71	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	118.8330	0.000	1	114.5242	8.293	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	113.0880	0.251	3	114.5242	8.293	4	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	115.4180	0.000	1	115.2050	0.091	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	114.9920	0.000	1	115.2050	0.091	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	122.3390	0.763	4	122.0523	2.936	7	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cu<4>,2|H<1>,4|C<3>}	120.5245	2.689	2	122.0523	2.936	7	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	123.9610	0.000	1	122.0523	2.936	7	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|C<4>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	122.5280	0.000	2	122.5280	0.000	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	116.7630	0.000	1	119.4023	2.584	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	118.8455	1.206	4	119.4023	2.584	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	118.8855	1.627	2	119.4023	2.584	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	120.5270	0.379	2	119.4023	2.584	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	119.8255	1.331	2	119.4023	2.584	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	122.2070	0.000	1	119.4023	2.584	12	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|P<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|H<1>,3|C<3>}	117.5340	0.000	1	117.5340	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{3|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(O[6]C[6,6a]){2|H<1>,3|C<3>}	118.2090	2.999	6	118.2090	8.995	6	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	125.7535	0.207	2	125.7535	0.043	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	120.1765	0.705	2	120.1765	0.497	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	117.5330	0.000	1	117.5330	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|P<5>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,5|C<3>}	123.4530	0.000	1	123.4530	0.000	1	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]Si[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	124.7710	0.416	2	124.7710	0.173	2	117.7609	4.531	536	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	116.7490	0.000	1	116.7490	0.000	1	117.2647	0.155	4	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.5510	0.000	1	117.4367	0.055	3	117.2647	0.155	4	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,3|C<3>,3|H<1>}	117.3795	0.301	2	117.4367	0.055	3	117.2647	0.155	4	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	118.0180	0.000	1	118.8325	1.327	2	119.8470	1.332	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	119.6470	0.000	1	118.8325	1.327	2	119.8470	1.332	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	118.5150	0.000	1	120.2528	0.946	5	119.8470	1.332	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	120.6873	0.051	4	120.2528	0.946	5	119.8470	1.332	7	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	117.3055	0.270	4	117.6400	0.614	5	117.6935	0.509	6	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){2|H<1>,7|C<3>}	118.9780	0.000	1	117.6400	0.614	5	117.6935	0.509	6	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])2{1|C<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	117.9610	0.000	1	117.9610	0.000	1	117.6935	0.509	6	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.9160	0.000	1	114.9160	0.000	1	113.2845	5.324	2	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	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>}	111.6530	0.000	1	111.6530	0.000	1	113.2845	5.324	2	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	643	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6a]-3:C[6,6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])2{1|Si<4>,1|Si<5>,1|C<4>,4|C<3>}	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	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>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	117.9321	4.213	732	117.9279	4.166	744	117.9279	4.166	744
622	643	658	6:SP2_SP2_SP3	O[6]	C[6,6a]	Si[6]	3:4:	3:3:2:	3:3:2:2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:O[6]-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<2>,3|H<1>,6|C<3>}	120.4910	0.000	1	120.1950	0.175	2	120.1950	0.175	2	120.1950	0.175	2	120.3407	4.219	6	120.3407	4.219	6
622	643	658	6:SP2_SP2_SP3	O[6]	C[6,6a]	Si[6]	3:4:	3:3:2:	3:3:2:2:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:O[6]-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]N[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	119.8990	0.000	1	120.1950	0.175	2	120.1950	0.175	2	120.1950	0.175	2	120.3407	4.219	6	120.3407	4.219	6
622	643	658	6:SP2_SP2_SP3	O[6]	C[6,6a]	Si[6]	3:4:	3:3:2:	3:3:2:4:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]Si[6])	Si[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CC3)	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,2|H<1>,4|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CC3){3|H<1>,6|C<3>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	120.3407	4.219	6	120.3407	4.219	6
622	643	658	6:SP2_SP2_SP3	O[6]	C[6,6a]	Si[6]	3:4:	3:3:2:	4:2:3:4:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[5]-4:O[6]-2:N[6]-3:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	Si[6](Si[5]N[5]2C)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]N[6]C){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Si[6](Si[5]N[5]2C)(O[6]C[6,6a])(N[6]C[6]C)(CH3){2|C<4>,5|C<3>}	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	120.3407	4.219	6	120.3407	4.219	6
622	643	658	6:SP2_SP2_SP3	O[6]	C[6,6a]	Si[6]	3:4:	3:3:2:	4:2:4:4:	C[6,6a]-3:Si[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	Si[6]-4:O[6]-2:C-4:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6])	Si[6](Si[6]O[6]CC)(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[6]CC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	Si[6](Si[6]O[6]CC)(O[6]C[6,6a])(CH3)2{2|C<3>}	121.7400	0.154	2	121.7400	0.024	2	121.7400	0.024	2	121.7400	0.024	2	120.3407	4.219	6	120.3407	4.219	6
622	643	679	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5a,6]	3:4:	3:3:2:	3:2:2:2:	C[6,6a]-3:B[5a,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	118.8456	11.227	5	118.8456	11.227	5
622	643	679	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5a,6]	4:3:	3:3:2:	3:2:2:1:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|F<1>,1|O<2>,2|H<1>,2|N<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	116.7100	0.967	2	116.7100	0.936	2	116.7100	0.936	2	116.7100	0.936	2	118.8456	11.227	5	118.8456	11.227	5
622	643	679	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5a,6]	4:3:	3:3:2:	3:2:3:2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	119.2920	0.000	1	119.2920	0.000	1	118.1765	2.489	2	118.1765	2.489	2	118.8456	11.227	5	118.8456	11.227	5
622	643	679	6:SP2_SP2_SP3	O[6]	C[6,6a]	B[5a,6]	4:3:	3:3:2:	3:2:3:2:	B[5a,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	117.0610	0.000	1	117.0610	0.000	1	118.1765	2.489	2	118.1765	2.489	2	118.8456	11.227	5	118.8456	11.227	5
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	115.5810	0.178	2	115.5810	0.032	2	115.5810	0.032	2	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	113.8890	0.000	1	113.8890	0.000	1	114.4715	0.679	2	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	115.0540	0.000	1	115.0540	0.000	1	114.4715	0.679	2	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	114.2520	0.000	1	114.4650	0.091	2	114.4593	0.036	6	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	114.6780	0.000	1	114.4650	0.091	2	114.4593	0.036	6	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	114.4565	0.171	4	114.4565	0.029	4	114.4593	0.036	6	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[5a,6]-3:N[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	114.5625	0.457	11	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:N[5a]-2:O[6]-2:	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a]){2|H<1>,4|C<3>}	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|O<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a]){1|H<1>,2|C<3>}	113.6530	0.000	1	113.6530	0.000	1	113.6413	0.045	7	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){1|F<1>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	113.8090	0.000	1	113.5310	0.039	4	113.6413	0.045	7	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	113.4315	0.120	2	113.5310	0.039	4	113.6413	0.045	7	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|F<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]F)(O[6]C[5a,6]){2|F<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){3|C<3>}	113.4520	0.000	1	113.5310	0.039	4	113.6413	0.045	7	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	113.9230	0.000	1	113.8560	0.009	2	113.6413	0.045	7	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|Cl<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	113.7890	0.000	1	113.8560	0.009	2	113.6413	0.045	7	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a]){1|H<1>,1|S<4>,6|C<3>}	115.2290	0.000	1	115.2290	0.000	1	114.7422	2.399	5	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[5a,6]){2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a]){1|H<1>,1|S<4>,6|C<3>}	114.0300	1.599	3	114.0300	2.558	3	114.7422	2.399	5	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a])	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|S<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a]){1|H<1>,1|S<1>,4|C<3>}	116.3920	0.000	1	116.3920	0.000	1	114.7422	2.399	5	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	727	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:O[6]-2:	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a])	O[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	114.3585	1.985	13	114.4341	1.201	25	114.4341	1.201	25
622	643	746	6:SP2_SP2_SPD5	O[6]	C[6,6a]	P[6,6]	3:5:	3:3:2:	2:2:3:3:1:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	122.4050	0.174	2	122.4050	0.030	2	122.4050	0.030	2	122.4050	0.030	2	122.3250	0.198	4	122.3250	0.198	4
622	643	746	6:SP2_SP2_SPD5	O[6]	C[6,6a]	P[6,6]	3:5:	3:3:2:	3:2:2:2:2:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6])	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6]){1|C<3>,1|N<3>,3|O<2>,4|H<1>}	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	122.2450	0.734	2	122.2450	0.539	2	122.2450	0.539	2	122.2450	0.539	2	122.3250	0.198	4	122.3250	0.198	4
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:2:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6]){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|N<3>,4|C<3>}	118.6190	0.000	1	118.6190	0.000	1	120.0540	1.343	4	119.6466	1.837	5	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.1910	0.000	1	121.1910	0.000	1	120.0540	1.343	4	119.6466	1.837	5	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	119.6410	0.000	1	120.2030	0.632	2	120.0540	1.343	4	119.6466	1.837	5	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	120.7650	0.000	1	120.2030	0.632	2	120.0540	1.343	4	119.6466	1.837	5	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	119.6466	1.837	5	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	119.1060	0.000	1	119.1060	0.000	1	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.8570	0.000	1	117.9250	0.086	7	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	117.9363	0.319	6	117.9250	0.086	7	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	118.8550	0.000	1	118.8550	0.000	1	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	118.9780	0.000	1	118.9780	0.000	1	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.0603	0.019	3	118.2246	0.069	9	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	117.7940	0.000	1	118.2246	0.069	9	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	118.5130	0.084	3	118.2246	0.069	9	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.1620	0.000	1	118.2246	0.069	9	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.3450	0.000	1	118.2246	0.069	9	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	117.4390	0.000	1	117.3040	0.036	2	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.1690	0.000	1	117.3040	0.036	2	118.1449	0.252	21	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	118.1070	0.271	22	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	121.4818	0.375	4	121.4818	0.140	4	121.4818	0.140	4	120.2640	3.725	6	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	120.2640	3.725	6	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6]-3:C[6,6]-3:O[6]-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|N<2>,2|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a]){1|H<1>,1|O<1>,5|C<3>}	117.3760	0.000	1	117.3760	0.000	1	117.3760	0.000	1	120.2640	3.725	6	118.7894	1.884	34	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6]){1|O<2>,1|O<3>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,1|O<3>}	117.9430	0.302	4	117.8872	0.076	6	117.8872	0.076	6	117.8872	0.076	6	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6]){2|C<3>,2|C<4>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,2|O<2>}	117.7755	0.268	2	117.8872	0.076	6	117.8872	0.076	6	117.8872	0.076	6	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:2:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	118.6580	0.311	2	118.6580	0.097	2	118.6580	0.097	2	118.6580	0.097	2	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	116.0560	0.000	1	116.0560	0.000	1	118.4791	1.257	8	118.4791	1.257	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CCN)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6])(CCN){1|H<1>,2|C<3>}	119.0570	0.000	1	119.0570	0.000	1	118.4791	1.257	8	118.4791	1.257	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N){3|C<3>}	118.3830	0.000	1	118.3830	0.000	1	118.4791	1.257	8	118.4791	1.257	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){1|H<1>,2|C<3>}	119.4235	0.210	2	118.8674	0.458	5	118.4791	1.257	8	118.4791	1.257	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	118.4967	0.615	3	118.8674	0.458	5	118.4791	1.257	8	118.4791	1.257	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(O)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(O){3|C<3>}	121.5710	0.000	1	121.5710	0.000	1	121.5710	0.000	1	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	116.7280	1.474	4	116.7280	2.172	4	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.9650	0.874	3	117.0012	0.515	4	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	117.1100	0.000	1	117.0012	0.515	4	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,2|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	116.4880	0.000	1	116.4880	0.000	1	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>}	116.7480	0.000	1	116.7480	0.000	1	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]H)(H){2|C<3>}	115.5470	0.247	2	115.5470	0.061	2	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]C)(H){2|C<3>}	114.4870	0.000	1	114.4870	0.000	1	116.4411	1.268	13	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(N){1|H<1>,2|C<3>}	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|N<2>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,3|C<3>}	122.2490	0.000	1	122.2490	0.000	1	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]2)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	121.3890	0.000	1	121.3890	0.000	1	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	121.2380	0.000	1	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>}	121.7190	0.000	1	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,3|C<3>}	121.2040	0.000	1	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	121.7250	0.000	1	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	121.4950	0.000	1	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	121.8380	0.000	1	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	122.1787	0.478	15	121.9952	0.267	21	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]N)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(O){1|O<1>,2|C<3>}	122.5610	0.000	1	122.5610	0.000	1	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]N[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]C)(O){1|H<1>,2|C<3>}	121.5510	0.061	2	121.5510	0.004	2	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]C)(O){2|C<3>}	119.8240	0.000	1	119.8240	0.000	1	121.8898	0.419	27	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:S-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|C<4>,2|C<3>}	121.7760	0.000	1	122.0203	0.071	4	122.0203	0.071	4	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:S-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	122.3910	0.000	1	122.0203	0.071	4	122.0203	0.071	4	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:S-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	121.9570	0.081	2	122.0203	0.071	4	122.0203	0.071	4	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,3|C<3>}	120.0575	0.103	2	120.0575	0.011	2	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	119.2830	1.621	2	120.5234	1.468	10	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){2|C<3>,2|H<1>}	121.4573	0.214	3	120.5234	1.468	10	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|H<1>,3|C<3>}	120.4592	1.093	5	120.5234	1.468	10	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	120.2750	0.000	1	120.2750	0.000	1	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]S)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]S)(O){1|H<1>,3|C<3>}	121.4220	0.000	1	121.4220	0.000	1	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]S[6]C)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	C[6](O[6]C[6,6a])(N[6]S[6]C)(O){2|C<3>,2|O<1>}	123.5580	0.000	1	123.5580	0.000	1	120.7069	1.659	15	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:N[6]-3:O-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){4|C<3>}	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	120.4447	5.433	62	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C-3:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6]){1|H<1>,2|C<3>}	118.7380	0.000	1	118.7380	0.000	1	118.7380	0.000	1	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	121.4570	0.000	1	122.0433	1.372	7	121.6809	1.796	11	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	122.1410	1.252	6	122.0433	1.372	7	121.6809	1.796	11	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|H<1>,2|C<3>}	122.2110	0.000	1	122.2110	0.000	1	121.6809	1.796	11	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS){1|H<1>,2|C<3>}	121.5900	0.000	1	121.5900	0.000	1	121.6809	1.796	11	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	121.6240	0.000	1	121.6240	0.000	1	121.6809	1.796	11	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a]){2|C<3>}	118.7620	0.000	1	118.7620	0.000	1	121.6809	1.796	11	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(OCd)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OCd){1|H<1>,2|C<3>}	122.7230	0.000	1	122.7230	0.000	1	122.8107	0.023	3	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(OMn)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>}	122.7240	0.000	1	122.7240	0.000	1	122.8107	0.023	3	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(OPd)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OPd){1|H<1>,2|C<3>}	122.9850	0.000	1	122.9850	0.000	1	122.8107	0.023	3	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:S-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(SCr)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(SCr){1|H<1>,2|C<3>}	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a]){1|O<1>,2|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC){1|H<1>,3|C<3>}	118.8480	0.000	1	118.8480	0.000	1	118.7125	0.037	2	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-2:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|C<4>,3|C<3>}	118.5770	0.000	1	118.5770	0.000	1	118.7125	0.037	2	121.3775	2.585	19	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C-3:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H){1|H<1>,2|C<3>}	121.1380	0.741	3	121.1380	0.549	3	121.1380	0.549	3	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[5]-3:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	121.3340	0.000	1	121.3340	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){2|C<3>,2|H<1>}	116.7300	0.000	1	116.7300	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH){3|C<3>}	118.9980	0.000	1	118.9980	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS){1|H<1>,2|C<3>}	120.7620	0.000	1	120.7620	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H){3|C<3>}	120.4410	0.000	1	120.4410	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,3|C<3>}	115.7340	0.000	1	115.7340	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]H)(COO){2|C<3>}	114.2180	0.000	1	114.2180	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H){2|C<3>}	117.5100	0.000	1	117.5100	0.000	1	118.2159	6.660	8	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.5413	0.357	7	118.1861	0.352	14	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	117.8309	0.583	7	118.1861	0.352	14	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	119.0430	0.228	2	119.0430	0.052	2	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS){1|H<1>,3|C<3>}	115.8990	0.000	1	115.8990	0.000	1	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.1820	0.000	1	118.1820	0.000	1	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	120.5560	0.000	1	120.5560	0.000	1	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	117.8590	0.000	1	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.4180	0.000	1	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.4694	0.849	11	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.7520	0.085	4	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.2820	0.570	2	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	118.9050	0.000	1	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.4080	0.000	1	118.4917	0.425	21	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	120.3530	0.000	1	120.3738	0.233	5	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	120.2885	0.062	2	120.3738	0.233	5	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	120.4695	0.947	2	120.3738	0.233	5	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH){1|H<1>,1|N<3>,2|C<3>}	119.2580	0.000	1	119.2580	0.000	1	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]N)(NFeO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]N)(NFeO){2|C<3>}	114.1957	0.252	3	114.1957	0.064	3	118.3544	2.082	49	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:N[6]-3:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC){1|H<1>,3|C<3>}	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	117.4960	0.000	1	117.4960	0.000	1	117.4960	0.000	1	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	118.4190	0.000	1	118.4190	0.000	1	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	118.0410	0.000	1	118.4995	0.471	25	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.4592	0.317	4	118.4995	0.471	25	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.5312	0.554	5	118.4995	0.471	25	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.1697	0.261	6	118.4995	0.471	25	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.7707	0.994	9	118.4995	0.471	25	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	119.6590	0.064	4	119.6590	0.004	4	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-3:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	118.3935	0.298	2	118.3935	0.089	2	118.6353	0.523	32	118.5778	2.147	96	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	119.1697	0.208	6	119.1697	0.043	6	119.0370	0.145	14	118.9551	0.236	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	119.1490	0.000	1	119.0140	0.193	7	119.0370	0.145	14	118.9551	0.236	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	118.0790	0.000	1	119.0140	0.193	7	119.0370	0.145	14	118.9551	0.236	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.1740	0.186	5	119.0140	0.193	7	119.0370	0.145	14	118.9551	0.236	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){3|C<3>}	118.4020	0.000	1	118.4020	0.000	1	119.0370	0.145	14	118.9551	0.236	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O[6]-2:	O[6]-2:C[6]-3:C-4:	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	118.9551	0.236	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.5300	0.000	1	121.3750	0.048	2	121.0078	0.147	5	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.2200	0.000	1	121.3750	0.048	2	121.0078	0.147	5	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	120.7630	0.212	3	120.7630	0.045	3	121.0078	0.147	5	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.1410	0.000	1	121.3910	0.051	3	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.4540	0.000	1	121.3910	0.051	3	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	121.5780	0.000	1	121.3910	0.051	3	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	121.1700	0.000	1	121.1700	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HP)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HP)(O){1|H<1>,3|C<3>}	120.8850	0.000	1	120.8850	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	119.2400	0.000	1	119.9680	1.060	2	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	120.6960	0.000	1	119.9680	1.060	2	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	121.9475	0.083	2	121.9475	0.007	2	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	121.5870	0.000	1	121.5870	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	123.0520	0.000	1	123.0520	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.9780	0.000	1	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.1070	0.000	1	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	120.9060	0.000	1	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.3680	0.000	1	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,5|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	121.3902	0.253	4	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	120.2750	0.000	1	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	121.5710	0.000	1	121.2766	0.222	10	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.9920	0.498	3	120.7524	0.323	7	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	120.5727	0.616	4	120.7524	0.323	7	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	120.6310	0.000	1	121.0625	0.819	4	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	122.4120	0.000	1	121.0625	0.819	4	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	120.4870	0.000	1	121.0625	0.819	4	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	120.7200	0.000	1	121.0625	0.819	4	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	120.9310	0.000	1	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|I<1>,1|O<1>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	120.6120	0.000	1	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	119.9870	0.000	1	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	121.0160	0.035	2	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){3|C<3>}	120.7860	0.000	1	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	120.3585	0.463	2	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	120.8100	0.000	1	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>}	120.7280	0.000	1	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|H<1>}	121.3095	0.332	2	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	120.6690	0.665	8	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	120.4910	0.208	2	120.7071	0.253	22	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,2|C<3>}	121.0790	0.414	2	121.6928	0.703	5	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|C<4>,1|H<1>,2|C<3>}	122.2905	1.083	2	121.6928	0.703	5	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	121.7250	0.000	1	121.6928	0.703	5	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CO)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	121.1490	0.000	1	121.1490	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	119.7950	0.000	1	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	120.6364	0.346	5	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	119.4620	0.000	1	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	120.5990	0.000	1	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	120.8040	0.000	1	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	120.4120	0.408	4	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|C<3>}	119.8320	0.000	1	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	120.4710	0.000	1	120.3862	0.217	15	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HN)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(O){1|H<1>,3|C<3>}	121.6030	0.000	1	121.6030	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]N[6]HH)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(O){1|C<4>,2|C<3>}	120.5690	0.225	2	120.5690	0.051	2	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]N[6]HP)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]HP)(O){1|C<4>,2|C<3>}	120.4590	0.000	1	120.4590	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O){2|C<3>}	119.3430	0.000	1	119.3430	0.000	1	120.8711	0.528	81	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>}	120.8650	0.000	1	120.8650	0.000	1	120.6295	0.111	2	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-4:O-1:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	120.3940	0.000	1	120.3940	0.000	1	120.6295	0.111	2	120.8734	0.496	88	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC){1|H<1>,3|C<3>}	120.2183	0.346	3	120.2183	0.120	3	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH){1|H<1>,1|O<2>,2|C<3>}	119.4495	0.404	2	119.4495	0.163	2	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H){1|H<1>,3|C<3>}	121.9610	0.000	1	121.9610	0.000	1	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC){1|H<1>,3|C<3>}	120.5120	0.000	1	120.5120	0.000	1	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH){1|H<1>,3|C<3>}	120.6220	0.000	1	120.6220	0.000	1	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	120.2660	0.000	1	120.2660	0.000	1	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H){1|C<4>,2|C<3>}	118.7130	0.000	1	118.7130	0.000	1	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH){2|C<3>}	117.7640	0.000	1	117.7640	0.000	1	119.9447	1.234	11	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	O[6]-2:C[6]-4:C-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H){1|H<1>,3|C<3>}	118.7982	0.933	4	118.7982	0.870	4	118.7982	0.870	4	119.6390	1.343	15	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	122.2800	0.000	1	122.2800	0.000	1	122.2800	0.000	1	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.4800	0.000	1	121.5833	1.312	4	121.5833	1.312	4	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.3380	1.189	2	121.5833	1.312	4	121.5833	1.312	4	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	121.1770	0.000	1	121.5833	1.312	4	121.5833	1.312	4	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:H-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6,6a])(H){1|C<4>,3|C<3>}	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|O<1>,3|C<3>}	122.0340	0.000	1	122.0340	0.000	1	121.6475	0.299	2	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>}	121.2610	0.000	1	121.2610	0.000	1	121.6475	0.299	2	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](N[5,6]C[5,6]N[5])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,3|C<3>}	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,3|H<1>}	121.2275	0.394	2	121.2275	0.155	2	121.2275	0.155	2	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,4|C<3>}	121.9090	0.000	1	119.0016	3.988	16	119.0016	3.988	16	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	118.0478	1.194	12	119.0016	3.988	16	119.0016	3.988	16	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6]-3:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	121.8477	0.476	3	119.0016	3.988	16	119.0016	3.988	16	119.8084	4.409	27	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:O[6]-2:C-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:O[6]-2:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6]){1|N<2>,4|C<3>}	121.4230	0.000	1	121.4230	0.000	1	121.9985	0.662	2	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:O[6]-2:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC){2|N<2>,3|C<3>}	122.5740	0.000	1	122.5740	0.000	1	121.9985	0.662	2	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	122.3040	0.000	1	122.3040	0.000	1	122.1477	0.022	3	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.0110	0.000	1	122.0110	0.000	1	122.1477	0.022	3	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS){5|C<3>}	122.1280	0.000	1	122.1280	0.000	1	122.1477	0.022	3	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:O-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(OPt)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(OPt){1|H<1>,2|C<3>,2|N<3>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:N[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	120.6410	6.553	8	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	117.5480	0.000	1	117.5480	0.000	1	117.5480	0.000	1	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH){1|N<2>,3|C<3>}	122.4990	0.000	1	122.4990	0.000	1	122.2415	0.133	2	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H){1|H<1>,2|C<3>,2|N<2>}	121.9840	0.000	1	121.9840	0.000	1	122.2415	0.133	2	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.2660	0.000	1	121.2660	0.000	1	121.3500	0.488	3	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH){1|H<1>,4|C<3>}	122.0870	0.000	1	122.0870	0.000	1	121.3500	0.488	3	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH){5|C<3>}	120.6970	0.000	1	120.6970	0.000	1	121.3500	0.488	3	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	119.1060	0.000	1	119.1060	0.000	1	120.6300	4.645	2	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.1540	0.000	1	122.1540	0.000	1	120.6300	4.645	2	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	118.6440	0.000	1	117.9677	0.386	3	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	117.4220	0.000	1	117.9677	0.386	3	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	117.8370	0.000	1	117.9677	0.386	3	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	119.1010	0.000	1	119.1010	0.000	1	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	118.2650	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	118.5510	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.9620	0.095	2	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.1450	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	122.2070	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	121.1000	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	120.9230	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	119.1330	0.219	2	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	119.9580	0.000	1	120.4854	2.331	11	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	121.0899	0.610	8	121.0899	0.373	8	120.3070	2.264	23	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	117.2200	0.000	1	117.2200	0.000	1	117.2200	0.000	1	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	118.0420	0.017	2	118.5123	0.664	3	118.5123	0.664	3	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6]-3:O[6]-2:N-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6])	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	119.4530	0.000	1	118.5123	0.664	3	118.5123	0.664	3	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	118.5080	0.000	1	118.2390	0.145	2	118.2390	0.145	2	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-3:	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	117.9700	0.000	1	118.2390	0.145	2	118.2390	0.145	2	119.9873	2.919	39	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O[6]-2:C[6]-4:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH){1|S<4>,2|H<1>,4|C<3>}	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	121.0873	0.252	3	121.0873	0.063	3	121.0873	0.063	3	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6]){6|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a]){2|H<1>,7|C<3>}	121.6100	0.000	1	121.6100	0.000	1	120.8513	1.572	3	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){2|H<1>,5|C<3>}	119.4040	0.000	1	119.4040	0.000	1	120.8513	1.572	3	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(O[6]C[6]){6|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a]){2|H<1>,7|C<3>}	121.5400	0.000	1	121.5400	0.000	1	120.8513	1.572	3	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	121.2330	0.000	1	121.2330	0.000	1	121.9700	1.086	2	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	122.7070	0.000	1	122.7070	0.000	1	121.9700	1.086	2	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[5a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[5a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.4630	0.000	1	118.2477	0.462	8	118.2477	0.462	8	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.0705	0.094	2	118.2477	0.462	8	118.2477	0.462	8	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	117.1330	0.000	1	118.2477	0.462	8	118.2477	0.462	8	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|H<1>,2|O<2>,5|C<3>}	118.8113	0.102	4	118.2477	0.462	8	118.2477	0.462	8	119.7402	2.621	18	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O){1|B<3>,2|C<3>,2|H<1>}	122.4670	0.000	1	122.4670	0.000	1	122.4670	0.000	1	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[4,6]C[4,6]2C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2C)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	121.4997	0.299	6	121.4997	0.089	6	122.2900	0.518	18	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	122.1660	0.279	2	122.5711	0.300	8	122.2900	0.518	18	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	122.7062	0.562	6	122.5711	0.300	8	122.2900	0.518	18	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	123.0190	0.460	2	123.0190	0.211	2	122.2900	0.518	18	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[4,6]C[4,6]C[4]Cl)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]Cl)(O[6]C[6,6a])(O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.8075	0.279	2	122.8075	0.078	2	122.2900	0.518	18	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O){6|C<3>}	121.3215	0.366	2	121.3215	0.134	2	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.9830	0.506	2	121.9830	0.256	2	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.6180	0.318	2	121.5948	0.186	4	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){2|C<3>,2|H<1>,3|C<4>}	121.0940	0.000	1	121.5948	0.186	4	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.0490	0.000	1	121.5948	0.186	4	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.1470	0.000	1	121.5836	0.698	7	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.6910	0.000	1	121.5836	0.698	7	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.5007	0.588	3	121.5836	0.698	7	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.8080	0.000	1	121.5836	0.698	7	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<4>,2|C<4>,3|C<3>}	120.9370	0.000	1	121.5836	0.698	7	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.6490	0.000	1	122.6490	0.000	1	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	122.0040	0.000	1	122.0040	0.000	1	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.9192	0.278	5	120.9192	0.077	5	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.4840	0.000	1	121.2455	1.160	2	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,6|C<3>}	122.0070	0.000	1	121.2455	1.160	2	121.4922	0.461	24	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:O[6]-2:S-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	120.3320	0.000	2	120.3320	0.000	2	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.8110	0.000	1	121.3700	0.389	2	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(O){1|C<4>,3|C<3>,3|H<1>}	120.9290	0.000	1	121.3700	0.389	2	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	121.4800	0.000	1	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,3|H<1>}	120.8632	0.134	4	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){2|C<4>,2|H<1>,3|C<3>}	120.7615	0.086	2	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	120.8543	0.434	6	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,3|C<3>,3|H<1>}	121.0440	0.000	1	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){2|C<4>,2|H<1>,3|C<3>}	120.9420	0.291	2	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	121.0850	0.000	1	120.9174	0.096	17	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,3|C<3>}	121.0220	0.000	1	121.0220	0.000	1	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.3640	0.000	1	120.5600	0.077	2	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,4|C<3>}	120.7560	0.000	1	120.5600	0.077	2	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	122.6480	0.000	1	122.6480	0.000	1	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6,6a])(O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.4400	0.000	1	121.4400	0.000	1	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.8170	0.168	2	120.9992	0.130	6	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.4285	0.199	2	120.9992	0.130	6	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.7520	0.156	2	120.9992	0.130	6	120.9758	0.233	32	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(O){1|C<4>,3|C<3>}	120.1500	0.000	1	120.1500	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](C[6]C[5a]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	121.9940	0.000	1	121.9940	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	121.4760	0.000	1	121.4760	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6,6a])(O){2|C<3>,2|H<1>,3|C<4>}	120.7110	0.259	5	120.7110	0.067	5	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O){1|O<1>,2|C<3>}	123.0060	0.000	1	123.0060	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	121.9660	0.000	1	121.9660	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	120.9860	0.000	1	120.9860	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O){2|C<4>,4|C<3>}	121.3010	0.209	2	120.9780	0.335	3	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]N)(O[6]C[6,6a])(O){1|O<1>,4|C<3>}	120.3320	0.000	1	120.9780	0.335	3	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,3|C<3>}	122.1200	0.000	1	121.4195	0.981	2	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O){1|H<1>,4|C<3>}	120.7190	0.000	1	121.4195	0.981	2	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:O-1:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(O){1|H<1>,4|C<3>}	120.1180	0.000	1	120.1180	0.000	1	121.1191	0.633	17	121.4223	0.663	94	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3,6]-4:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	119.9455	1.910	6	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH){1|H<1>,2|C<3>,2|O<1>,2|O<2>}	120.5400	0.000	1	120.5400	0.000	1	119.6788	1.854	5	119.9455	1.910	6	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H){1|H<1>,5|C<3>}	121.6300	0.000	1	121.6300	0.000	1	119.6788	1.854	5	119.9455	1.910	6	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H){1|H<1>,5|C<3>}	118.6420	0.000	1	118.6420	0.000	1	119.6788	1.854	5	119.9455	1.910	6	120.1376	3.230	504	120.0524	3.249	538
622	643	762	6:SP2_SP2_SP2	O[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6]-4:O[6]-2:C-3:	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH){1|C<4>,4|C<3>}	118.7910	0.465	2	118.7910	0.216	2	119.6788	1.854	5	119.9455	1.910	6	120.1376	3.230	504	120.0524	3.249	538