474	622	786	0:SP3_SP2_SP3	C[5,6]	O[6]	B[5]	4:4:2:1:	4:3:	4:3:3:4:	P[5,6]-4:B[5]-4:O[6]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H)	O[6](C[5,6]P[5,6]B[5]H)(B[6]C[6a]C[6])	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	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>}	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>}	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<3>,1|C<4>,2|H<1>,4|F<1>,5|C<3>}	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1
474	622	813	0:SP3_SP2_SP2	C[5,6]	O[6]	N[5,5a]	3:3:2:1:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-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)	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	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>}	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>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	110.6800	0.000	1	111.2263	0.605	3	111.2263	0.605	3	111.2263	0.605	3	109.6970	9.759	4	109.6970	9.759	4
474	622	813	0:SP3_SP2_SP2	C[5,6]	O[6]	N[5,5a]	3:3:2:1:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-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)	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	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>}	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>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	111.4995	0.873	2	111.2263	0.605	3	111.2263	0.605	3	111.2263	0.605	3	109.6970	9.759	4	109.6970	9.759	4
474	622	813	0:SP3_SP2_SP2	C[5,6]	O[6]	N[5,5a]	3:4:3:2:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-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])	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	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>}	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>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	105.1090	0.000	1	105.1090	0.000	1	105.1090	0.000	1	105.1090	0.000	1	109.6970	9.759	4	109.6970	9.759	4
474	622	813	0:SP3_SP2_SP3	C[5,6]	O[6]	N[5,5a]	3:4:3:2:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-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])	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	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>}	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>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1
474	622	813	6:SP3_SP2_SP3	C[5,6]	O[6]	N[5a,6]	3:3:3:2:	4:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-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])	O[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6,6a]O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	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>}	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>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1
474	622	818	0:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6]	4:3:2:2:	4:3:	4:3:2:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6]-3:O[5]-2:	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])	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5])	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>}	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](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5]	3:3:4:2:	4:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6,6]-4:O[6]-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	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])	O[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]O)	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H)	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>}	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](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>,4|C<4>}	107.6635	0.161	2	107.6635	0.026	2	107.6635	0.026	2	107.6635	0.026	2	107.6635	0.026	2	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	2:2:3:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)	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>}	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](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<3>}	112.6155	0.269	2	112.6155	0.073	2	112.6155	0.073	2	112.6155	0.073	2	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	2:2:3:3:	3:4:	4:4:3:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:C-3:	C[5,6](O[6]C[6,6a])2(C[5]C[5]C)(C[5]C[5]H)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2O[6])	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH)	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>}	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](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	109.0720	1.024	2	109.0720	1.048	2	109.0720	1.048	2	109.0720	1.048	2	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	2:2:3:4:	3:4:	4:2:1:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(O)	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>}	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](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(O){1|H<1>,2|C<3>}	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:2:3:1:	3:4:	4:2:3:	N[5,6]-3:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O[5]-2:C-3:	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(O[5]C[5,6])(CHH)	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>}	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](C[5,6]N[5,6]O[6]H)(O[5]C[5,6])(CHH){1|H<1>,1|S<4>,2|C<3>}	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:2:4:3:	4:3:	4:3:1:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:N[5]-3:O-1:	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)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	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>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,3|C<3>}	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:2:	4:3:	4:3:1:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:I-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I)	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>}	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](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I){2|C<4>,3|C<3>}	104.7030	0.000	1	104.7030	0.000	1	104.7155	0.000	2	104.7155	0.000	2	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:2:	4:3:	4:3:1:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:I-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I)	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>}	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](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]I)(I){2|C<4>,3|C<3>}	104.7280	0.000	1	104.7280	0.000	1	104.7155	0.000	2	104.7155	0.000	2	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:4:	3:4:	3:4:1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O)	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>}	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O){1|H<1>,4|C<3>}	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:4:	4:3:	4:3:1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O)	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>}	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](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O){5|C<3>}	106.4350	0.000	1	106.4350	0.000	1	106.4350	0.000	1	106.4350	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:3:2:	4:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	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])	O[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	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](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O){5|C<3>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:3:2:	4:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3: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])	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH)	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>}	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](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,6|C<3>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:4:2:	4:3:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6])	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	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>}	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.6850	0.614	2	107.6850	0.377	2	107.6850	0.377	2	107.6850	0.377	2	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:2:4:	3:4:	3:4:3:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-3:C[5,6]-4:C[6a]-3:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	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>}	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](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	103.3940	0.000	1	103.3940	0.000	1	103.3940	0.000	1	103.3940	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:2:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-2:O-1:	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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a])(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]){1|H<1>,1|O<1>,4|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a])(O){2|H<1>,4|C<3>}	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	107.2790	0.000	1	107.2790	0.000	1	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	109.4120	0.000	1	108.1370	3.251	2	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	106.8620	0.000	1	108.1370	3.251	2	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	108.4090	0.000	1	108.4090	0.000	1	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	105.6270	0.000	1	106.8382	1.744	4	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	106.5140	0.311	2	106.8382	1.744	4	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	108.6980	0.000	1	106.8382	1.744	4	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(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]){1|O<1>,2|H<1>,4|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	106.7540	0.000	1	106.7540	0.000	1	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	108.1407	1.496	3	108.1407	2.238	3	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	3:4:3:2:	4:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	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](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.8375	2.896	2	108.8375	8.385	2	107.7261	2.264	14	107.7261	2.264	14	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:2:3:1:	3:4:	4:3:1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	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>}	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](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.5513	1.715	3	109.5513	2.940	3	109.5444	4.965	5	109.5444	4.965	5	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:2:3:1:	3:4:	4:3:1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	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>}	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](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.8900	0.000	1	106.8900	0.000	1	109.5444	4.965	5	109.5444	4.965	5	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:2:3:1:	3:4:	4:3:1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]C)(H)	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>}	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](C[5,6]C[5,6]O[6]H)(C[5]O[5]C)(H){1|C<3>,2|C<4>}	112.1780	0.000	1	112.1780	0.000	1	109.5444	4.965	5	109.5444	4.965	5	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:2:3:2:	3:4:	4:3:1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]O)(N[5]C[6a]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){1|H<1>,1|O<1>,4|C<3>}	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](C[5,6]C[5,6]O[6]O)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,3|C<3>}	105.3000	0.000	1	105.3000	0.000	1	105.3000	0.000	1	105.3000	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:2:3:4:	3:4:	4:3:4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	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>}	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](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:2:3:	3:4:	4:3:1:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:O-1:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5])	C[5](C[5,6]C[5,6]2O[6])(C[5]N[5]C)(O)	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>}	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](C[5,6]C[5,6]2O[6])(C[5]N[5]C)(O){1|O<2>,4|C<3>}	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:2:3:	4:3:	4:3:1:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-3:O-1:	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)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O)	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>}	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](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O){1|O<2>,7|C<3>}	101.4870	0.000	1	101.4870	0.000	1	101.4870	0.000	1	101.4870	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:3:2:	4:3:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5]2C[6])(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O)	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>}	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](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O){3|C<3>,4|H<1>}	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:3:2:	4:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-3:C[6a]-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])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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>}	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](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,8|C<3>}	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:3:2:	4:3:	4:4:3:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5]2C[6])(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H)	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>}	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](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP2	C[5,6]	O[6]	C[5]	4:4:3:2:	4:3:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	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])	O[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(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]){1|O<1>,4|C<3>}	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,4|C<3>,4|H<1>}	104.9335	0.815	2	104.9335	0.665	2	104.9335	0.665	2	104.9335	0.665	2	108.0938	6.717	45	108.0546	6.317	48
474	622	818	0:SP3_SP2_SP3	C[5,5,6,6]	O[6,6]	C[5]	4:2:4:3:	4:4:	4:3:3:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[3x6]-4:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	119.4320	0.000	1	119.4320	0.000	1	118.9533	0.866	3	118.9533	0.866	3	118.9533	0.866	3	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,5,6,6]	O[6,6]	C[5]	4:2:4:3:	4:4:	4:3:3:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[3x6]-4:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]O[5]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	118.7140	1.178	2	118.7140	1.388	2	118.9533	0.866	3	118.9533	0.866	3	118.9533	0.866	3	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,5,6,6]	O[6]	C[5,6]	4:3:3:2:	4:4:	4:4:1:	C[3x5,6]-4:C[5,6]-3:N[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6])	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|O<1>,1|S<4>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(O){1|S<4>,2|H<1>,6|C<4>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,5,6]	O[6]	C[5]	4:3:4:2:	4:4:	4:4:1:	C[5,5,6,6]-4:C[5]-3:C[5]-4:O[6]-2:	C[5,5,6]-4:C[6,6]-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6])	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H)	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O)	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[5]	4:2:3:4:	4:4:	4:3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Cr)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Cr){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	104.7250	0.000	1	104.7250	0.000	1	104.9110	0.029	3	104.9110	0.029	3	104.6622	6.182	5	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[5]	4:2:3:4:	4:4:	4:3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Mo)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]Mo){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	104.9530	0.000	1	104.9530	0.000	1	104.9110	0.029	3	104.9110	0.029	3	104.6622	6.182	5	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[5]	4:2:3:4:	4:4:	4:3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]W)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]C[6,6]O[6,6]W){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	105.0550	0.000	1	105.0550	0.000	1	104.9110	0.029	3	104.9110	0.029	3	104.6622	6.182	5	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[5]	4:2:4:3:	4:4:	4:3:4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5]-3:C-4:	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	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	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>}	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](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	100.8100	0.000	1	100.8100	0.000	1	100.8100	0.000	1	100.8100	0.000	1	104.6622	6.182	5	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[5]	4:3:2:3:	4:4:	4:3:3:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a])	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a]){1|C<4>,2|H<1>,9|C<3>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	104.6622	6.182	5	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6,6]	O[6]	C[5,6]	4:3:2:2:	4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){1|O<1>,4|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	2:4:2:3:	4:4:	4:3:1:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3: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)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(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){3|C<4>,4|H<1>}	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](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	109.4950	23.188	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	2:4:2:3:	4:4:	4:3:1:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[6,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3: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)	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(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){3|C<4>,4|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	109.4950	23.188	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:3:2:2:	4:4:	4:3:1:	C[5,6a]-3:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	111.3040	0.783	2	111.3040	0.614	2	111.3040	0.614	2	111.3040	0.614	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:3:3:2:	4:4:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	108.9040	0.000	1	108.9040	0.000	1	108.4060	0.496	2	108.4060	0.496	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:3:3:2:	4:4:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	107.9080	0.000	1	107.9080	0.000	1	108.4060	0.496	2	108.4060	0.496	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:3:4:2:	4:4:	3:4:1:	C[5]-3:N[5]-3:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6])	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O)	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O){2|C<3>,2|C<4>,4|H<1>}	105.7605	0.030	2	105.7605	0.001	2	105.7605	0.001	2	105.7605	0.001	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:4:2:3:	4:4:	4:3:1:	C[5,6a]-3:C[6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O){2|C<3>,2|N<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	110.9730	0.658	2	110.9730	0.432	2	110.9730	0.432	2	110.9730	0.432	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:4:3:2:	4:4:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	109.7012	1.363	5	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:4:3:2:	4:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	109.0710	0.000	1	109.0710	0.000	1	109.2640	0.543	4	109.7012	1.363	5	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:4:3:2:	4:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-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])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(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]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	109.8405	0.064	2	109.8405	0.004	2	109.2640	0.543	4	109.7012	1.363	5	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	3:4:3:2:	4:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6]){1|C<4>,5|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	108.3040	0.000	1	108.3040	0.000	1	109.2640	0.543	4	109.7012	1.363	5	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:2:3:2:	4:4:	4:3:1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:O-1:	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)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O)	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>}	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](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C)(O){1|H<1>,5|C<4>}	103.9720	0.000	1	103.9720	0.000	1	103.9720	0.000	1	107.3055	5.096	4	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:2:3:2:	4:4:	4:3:1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	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>}	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](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	108.2240	0.499	2	108.4167	0.236	3	108.4167	0.236	3	107.3055	5.096	4	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:2:3:2:	4:4:	4:3:1:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	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>}	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](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	108.8020	0.000	1	108.4167	0.236	3	108.4167	0.236	3	107.3055	5.096	4	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:2:3:2:	4:4:	4:4:1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O-1:	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)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O)	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>}	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](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O){1|H<1>,5|C<4>}	103.7680	0.103	2	103.7680	0.011	2	104.0233	0.201	3	104.0233	0.201	3	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:2:3:2:	4:4:	4:4:1:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O-1:	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)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O)	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>}	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](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]C[6]H)(O){1|O<2>,2|H<1>,6|C<4>}	104.5340	0.000	1	104.5340	0.000	1	104.0233	0.201	3	104.0233	0.201	3	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:1:	4:3:	4:3:1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:N[6]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]H)(H)	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>}	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](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>}	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:1:	4:4:	4:3:1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-3: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)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(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){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	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](C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]2)(H){1|C<3>,7|C<4>}	106.8845	1.148	2	106.8845	1.317	2	106.8845	1.317	2	106.8845	1.317	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:1:	4:4:	4:4:2:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:N-2:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO){2|H<1>,6|C<4>}	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	113.6900	1.608	2	113.6900	2.586	2	113.9507	0.661	8	113.8526	1.779	12	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{3|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5]O[6]2)(H){1|C<3>,4|C<4>,4|H<1>}	114.0560	0.369	2	114.0560	0.136	2	113.9507	0.661	8	113.8526	1.779	12	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	114.1290	0.546	2	114.0285	0.574	4	113.9507	0.661	8	113.8526	1.779	12	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	113.9280	1.177	2	114.0285	0.574	4	113.9507	0.661	8	113.8526	1.779	12	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	113.6975	2.395	2	113.6975	5.736	2	113.6562	4.905	4	113.8526	1.779	12	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	113.6150	2.995	2	113.6150	8.972	2	113.6562	4.905	4	113.8526	1.779	12	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H)	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	107.7405	0.923	2	107.7405	0.852	2	107.7405	0.852	2	107.7405	0.852	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:2:	4:4:	4:4:3:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6]-4:C-3:	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHH)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2{3|C<4>,6|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){3|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHH){2|C<3>,3|H<1>,4|C<4>}	113.1570	6.220	2	113.1570	38.685	2	113.1570	38.685	2	113.1570	38.685	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:2:4:	4:4:	4:4:1:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O){1|C<3>,2|C<4>,2|H<1>}	101.1025	0.745	2	101.1025	0.554	2	101.1025	0.554	2	101.1025	0.554	2	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:3:3:2:	4:4:	4:3:2:	C[6]-4:C[5]-3:N[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6]HH)(C[5]C[5]O)(N[5]C[5]H)(O[6]C[6])	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC)	C[5,6](C[6]C[6]HH)(C[5]C[5]O)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC){1|O<1>,2|C<4>,3|H<1>}	105.1220	0.000	1	105.1220	0.000	1	105.1220	0.000	1	105.1220	0.000	1	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:4:3:2:	4:4:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O)	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6]){2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O){3|H<1>,4|C<4>}	104.4400	0.000	1	104.4400	0.000	1	104.4400	0.000	1	104.4400	0.000	1	109.5601	17.259	47	109.8970	23.321	58
474	622	818	0:SP3_SP2_SP3	C[5,6]	O[6]	C[5]	4:4:3:2:	4:4:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6]){1|C<4>,8|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(O){3|C<4>,5|H<1>}	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	109.5601	17.259	47	109.8970	23.321	58
474	622	818	6:SP3_SP2_SP2	C[5,5,6,6]	O[6]	C[5,6]	4:4:3:2:	4:3:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[6,6a]-3:	C[5,5,6,6]-4:C[6]-3:C[5]-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])	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O)	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>}	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[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6,6]	4:3:2:1:	4:3:	4:4:2:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	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)	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]O[6]H)(N[6]C[6])	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>}	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]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	109.7157	0.939	17	109.7876	0.780	20	109.7990	0.611	34	109.7990	0.611	34	109.7990	0.611	34	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6,6]	4:3:2:1:	4:3:	4:4:2:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	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)	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]O[6]H)(N[6]C[6])	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>}	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]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,2|H<1>,6|C<4>}	110.1950	0.230	3	109.7876	0.780	20	109.7990	0.611	34	109.7990	0.611	34	109.7990	0.611	34	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6,6]	4:3:2:1:	4:3:	4:4:2:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	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)	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]O[6]H)(N[6]C[6])	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>}	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]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	110.3280	0.000	1	109.8152	0.412	14	109.7990	0.611	34	109.7990	0.611	34	109.7990	0.611	34	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6,6]	4:3:2:1:	4:3:	4:4:2:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	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)	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]O[6]H)(N[6]C[6])	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>}	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]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	109.7847	0.678	12	109.8152	0.412	14	109.7990	0.611	34	109.7990	0.611	34	109.7990	0.611	34	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6,6]	O[6]	C[5,6,6]	4:3:2:1:	4:3:	4:4:2:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	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)	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]O[6]H)(N[6]C[6])	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>}	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]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	109.6690	0.000	1	109.8152	0.412	14	109.7990	0.611	34	109.7990	0.611	34	109.7990	0.611	34	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:1:	3:4:	3:4:2:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	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[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.5930	0.041	2	110.5930	0.002	2	110.5930	0.002	2	110.5930	0.002	2	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:1:	3:4:	4:3:3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	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]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	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>}	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]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	113.0250	0.000	1	112.2827	0.423	3	112.3300	0.291	4	112.3300	0.291	4	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:1:	3:4:	4:3:3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	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]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	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>}	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]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	111.9115	0.141	2	112.2827	0.423	3	112.3300	0.291	4	112.3300	0.291	4	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:1:	3:4:	4:3:3:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	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]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H)	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>}	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]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H){4|C<3>}	112.4720	0.000	1	112.4720	0.000	1	112.3300	0.291	4	112.3300	0.291	4	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:1:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-3:C[6]-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)	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	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>}	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](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	112.3350	0.000	1	111.8103	0.220	3	111.8103	0.220	3	111.8103	0.220	3	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:1:	4:3:	4:3:3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-3:C[6]-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)	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	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>}	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](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	111.5480	0.163	2	111.8103	0.220	3	111.8103	0.220	3	111.8103	0.220	3	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:2:	4:3:	4:4:3:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	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>}	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]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.9117	0.277	3	109.9117	0.077	3	109.9117	0.077	3	109.9117	0.077	3	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-3:C[6]-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])	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[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C)	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>}	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[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C){6|C<3>}	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:1:	4:3:	4:4:3:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H)	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>}	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[5,6,6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(C[5]C[5]H){2|C<3>,3|C<4>,8|H<1>}	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:4:	4:3:	3:4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	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>}	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[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:4:	4:3:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	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]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH)	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>}	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]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:4:2:	4:3:	4:3:4:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-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])	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]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	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>}	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]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.2850	0.000	1	108.0780	0.086	2	108.0780	0.086	2	108.0780	0.086	2	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:4:2:	4:3:	4:3:4:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-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])	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]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH)	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>}	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]2O[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	107.8710	0.000	1	108.0780	0.086	2	108.0780	0.086	2	108.0780	0.086	2	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP2	C[5,6]	O[6]	C[5,6]	4:3:2:3:	3:4:	4:3:2:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:N[5]-2:	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)	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[6]C[6,6a]C[5a])(N[5]C[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){1|N<2>,1|O<1>,7|C<3>}	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[6]C[6,6a]C[5a])(N[5]C[5]){1|N<3>,1|O<1>,1|O<2>,6|C<3>}	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	111.0982	2.399	19	110.2712	1.586	54
474	622	818	6:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[5,6,6]	3:3:3:2:	4:2:	4:3:4:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	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[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(O[6,6]C[4x6])	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	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[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[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){1|O<2>,7|C<3>}	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	106.6728	0.639	5	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[5,6,6]	3:4:2:4:	4:2:	4:3:4:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[5,6,6]-3:C[5]-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)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6])	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	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[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[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	106.6520	0.000	1	106.6520	0.000	1	106.6520	0.000	1	106.6520	0.000	1	106.6728	0.639	5	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[5,6,6]	3:4:2:4:	4:3:	4:3:4:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:N[6,6]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-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)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	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>}	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[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	107.3255	0.045	2	107.3255	0.002	2	107.3255	0.002	2	107.3255	0.002	2	106.6728	0.639	5	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,3x6]	O[6,6]	C[5,6,6]	4:3:4:2:	4:2:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	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[5,3x6]C[5,6,6]2C[6,6])(O[6,6]C[3x6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O)	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[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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	106.6728	0.639	5	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6,6]	O[6,6]	C[5,6]	3:2:4:4:	4:4:	4:3:3:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[6]-3:C[5]-3:	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)	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[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>}	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](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	3:3:2:1:	4:4:	4:3:2:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){1|N<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	110.4770	0.000	1	110.4770	0.000	1	110.4770	0.000	1	110.4770	0.000	1	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	3:3:2:1:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|Ni<4>,1|C<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni){1|C<4>,1|N<3>,4|C<3>}	113.9935	0.136	2	113.9935	0.019	2	113.9935	0.019	2	113.9935	0.019	2	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	3:3:2:4:	4:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	109.6190	0.870	2	109.6190	0.756	2	109.6190	0.756	2	109.6190	0.756	2	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	3:3:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH){7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	3:4:2:1:	4:4:	3:4:4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H){2|H<1>,6|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	3:4:2:4:	4:4:	4:4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	4:3:2:1:	4:4:	4:4:1:	C[5,5]-4:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	4:3:2:2:	4:2:	4:3:3:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-4:O[6]-2:	C[5,6]-4:C[5]-3:C[6]-3:	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[5,6]C[5,6]2O)(O[6]C[6])	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C)	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[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[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C){1|O<2>,4|C<4>}	104.2840	0.000	1	104.2840	0.000	1	104.2840	0.000	1	104.2840	0.000	1	109.8259	8.439	12	108.8621	7.699	18
474	622	818	6:SP3_SP2_SP3	C[5,6]	O[6]	C[5,6]	4:3:3:2:	4:4:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	108.9265	1.527	2	108.9265	2.331	2	108.9265	2.331	2	108.9265	2.331	2	109.8259	8.439	12	108.8621	7.699	18
474	622	856	0:SP3_SP2_SP2	C[5,6,6]	O[6]	N[6]	4:2:4:3:	4:3:	4:3:4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6]-3:C-4:	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)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	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>}	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>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	109.3208	0.457	8	109.3208	0.209	8	109.1556	0.428	9	109.1556	0.428	9	109.1556	0.428	9	109.1556	0.428	9
474	622	856	0:SP3_SP2_SP2	C[5,6,6]	O[6]	N[6]	4:2:4:3:	4:3:	4:3:4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[6]-3:C-4:	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)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	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>}	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>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	107.8340	0.000	1	107.8340	0.000	1	109.1556	0.428	9	109.1556	0.428	9	109.1556	0.428	9	109.1556	0.428	9
474	622	856	0:SP3_SP3_SP3	C[5,6,6]	O[6]	N[6]	4:3:3:2:	4:4:	4:3:4:	C[5,6,6]-4:N[5]-3:N[6]-3:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]N[5]N[6])(C[6]C[6]HH)	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3)	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,3|O<1>}	O[6](C[5,6,6]C[5,6,6]N[5]N[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	109.4975	0.155	2	109.4975	0.024	2	109.4975	0.024	2	109.4975	0.024	2	109.4975	0.024	2	109.4975	0.024	2
474	622	856	6:SP3_SP2_SP3	C[5,6]	O[6]	N[6]	3:3:3:2:	4:4:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.3670	0.000	1	110.2215	2.624	2	110.2215	2.624	2	110.2215	2.624	2	110.2215	2.624	2	110.2215	2.624	2
474	622	856	6:SP3_SP2_SP3	C[5,6]	O[6]	N[6]	3:3:3:2:	4:4:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.0760	0.000	1	110.2215	2.624	2	110.2215	2.624	2	110.2215	2.624	2	110.2215	2.624	2	110.2215	2.624	2
474	622	891	0:SP3_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:3:	3:4:	3:4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])	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>}	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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	110.0810	0.000	1	110.0810	0.000	1	110.7560	0.911	2	110.7560	0.911	2	108.5036	7.315	19	108.5036	7.315	19
474	622	891	0:SP3_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:3:	3:4:	3:4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[6]N[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])	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>}	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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	111.4310	0.000	1	111.4310	0.000	1	110.7560	0.911	2	110.7560	0.911	2	108.5036	7.315	19	108.5036	7.315	19
474	622	891	0:SP3_SP2_SP2	C[5,6]	O[6]	S[5]	4:2:2:1:	3:4:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H)	S[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	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>}	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>}	S[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|O<2>,2|C<3>}	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	108.5036	7.315	19	108.5036	7.315	19
474	622	891	0:SP3_SP2_SP2	C[5,6]	O[6]	S[5]	4:2:2:2:	3:4:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2)	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H)	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>}	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>}	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,2|S<2>}	108.2559	2.821	16	108.2559	7.956	16	108.2559	7.956	16	108.2559	7.956	16	108.5036	7.315	19	108.5036	7.315	19
474	622	891	0:SP3_SP2_SP3	C[5,6]	O[6]	S[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)	S[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]N)	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	S[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]N){1|H<1>,2|C<4>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1
474	622	891	0:SP3_SP3_SP3	C[5,6,6]	O[6]	S[5,6]	4:2:4:2:	4:4:	4:4:	C[5,5,6]-4:S[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6])	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH)	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1
474	622	893	0:SP3_SP2_SP3	C[5,6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4: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)	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O)	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	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>}	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>}	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	106.6557	3.496	7
474	622	893	0:SP3_SP2_SP3	C[5,6]	O[6]	O	3:3:2:2:	4:3:	4:4:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	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>}	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>}	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	105.0803	0.282	3	105.0803	0.080	3	105.0803	0.080	3	105.0803	0.080	3	106.1358	1.925	6	106.6557	3.496	7
474	622	893	0:SP3_SP2_SP3	C[5,6]	O[6]	O	3:4:2:2:	4:3:	4:1:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	O(C[5,6]C[5,6a]C[5,6]O[6])(H)	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>}	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>}	O(C[5,6]C[5,6a]C[5,6]O[6])(H)	107.1605	1.667	2	107.1605	2.778	2	107.1605	2.778	2	107.1605	2.778	2	106.1358	1.925	6	106.6557	3.496	7
474	622	893	0:SP3_SP2_SP3	C[5,6]	O[6]	O	4:2:3:2:	3:4:	4:1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)	O(C[5,6]C[5,6]C[5]O[6])(H)	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>}	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>}	O(C[5,6]C[5,6]C[5]O[6])(H)	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	106.1358	1.925	6	106.6557	3.496	7
474	622	893	0:SP3_SP3_SP3	C[5,3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[6,6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH)	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	106.0485	0.556	4	106.0485	0.309	4	106.0485	0.309	4	106.2224	0.383	5	106.2224	0.383	5	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[6,6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH)	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH){2|H<1>,2|O<2>,3|C<4>}	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.2224	0.383	5	106.2224	0.383	5	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:2:2:2:	4:4:	4:4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH)	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>}	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	107.5035	0.185	2	107.5035	0.034	2	107.5035	0.034	2	107.5035	0.034	2	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:3:2:2:	4:2:	4:1:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-4:O[6]-2:	C[5,6]-4:H-1:	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[5,6]C[5,6]2O)(O[6]C[6])	O(C[5,6]C[5,6]2O[6])(H)	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[5,6]C[5,6]2O)(O[6]C[6]){1|O<2>,2|C<3>,4|C<4>}	O(C[5,6]C[5,6]2O[6])(H)	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:2:	4:1:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:O[6]-2:	C[5,6]-4:H-1:	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[5,6]C[5,5,6]C[5]O)(O[6]C[6])	O(C[5,6]C[5,5,6]C[5]O[6])(H)	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[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>}	O(C[5,6]C[5,5,6]C[5]O[6])(H)	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6,6]C[5]O[6])(H)	111.0100	0.802	2	111.3070	0.586	3	111.3070	0.586	3	109.7937	6.120	6	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6,6]C[5]O[6])(H)	111.9010	0.000	1	111.3070	0.586	3	111.3070	0.586	3	109.7937	6.120	6	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:H-1:	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)	O(C[5,6]C[5,6]C[5]O[6])(H)	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>}	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>}	O(C[5,6]C[5,6]C[5]O[6])(H)	106.3610	0.000	1	106.3610	0.000	1	106.3610	0.000	1	109.7937	6.120	6	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(H)	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	109.7937	6.120	6	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH){1|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[5]O[6])(H)	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	109.7937	6.120	6	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	110.9950	0.000	1	110.9950	0.000	1	111.7280	0.361	7	111.7280	0.361	7	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	111.7430	0.000	1	111.6895	0.234	4	111.7280	0.361	7	111.7280	0.361	7	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	111.7940	0.779	2	111.6895	0.234	4	111.7280	0.361	7	111.7280	0.361	7	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	111.4270	0.000	1	111.6895	0.234	4	111.7280	0.361	7	111.7280	0.361	7	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	112.6860	0.000	1	112.6860	0.000	1	111.7280	0.361	7	111.7280	0.361	7	110.5099	4.236	17	109.5355	6.682	22
474	622	893	0:SP3_SP3_SP3	C[5,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	111.6570	0.000	1	111.6570	0.000	1	111.7280	0.361	7	111.7280	0.361	7	110.5099	4.236	17	109.5355	6.682	22
474	622	930	0:SP3_SP2_SP2	C[5,6,6]	O[6]	C	4:4:2:3:	4:3:	4:2:1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:C-3:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:O-2:O-1:	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)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O)	C(C[5,6,6]C[5,5,6,6]C[5,6]O[6])(OC)(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){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	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(C[5,6,6]C[5,5,6,6]C[5,6]O[6])(OC)(O)	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	107.6070	8.415	5
474	622	930	0:SP3_SP2_SP2	C[5,6]	O[6]	C	2:2:4:3:	3:4:	4:4:3:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C-4:C-3:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	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>}	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(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.4532	11.063	4	107.6070	8.415	5
474	622	930	0:SP3_SP2_SP2	C[5,6]	O[6]	C	3:4:2:3:	3:4:	4:3:1:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	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>}	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(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	109.8170	1.045	2	109.8170	1.092	2	109.8170	1.092	2	109.8170	1.092	2	107.4532	11.063	4	107.6070	8.415	5
474	622	930	0:SP3_SP2_SP2	C[5,6]	O[6]	C	4:2:2:3:	3:4:	4:2:1:	C[5,6]-4:O[6]-2:O[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C(C[5,6]C[5,6]O[5]O[6])(OC)(O)	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>}	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(C[5,6]C[5,6]O[5]O[6])(OC)(O)	102.8820	0.000	1	102.8820	0.000	1	102.8820	0.000	1	102.8820	0.000	1	107.4532	11.063	4	107.6070	8.415	5
474	622	951	0:SP3_SP-NON_SP2	C[5,3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6]-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)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	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>}	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>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.3540	0.000	1	110.4320	0.010	4	110.3842	0.019	5	110.3842	0.019	5	110.3842	0.019	5	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6]-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)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	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>}	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>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.4015	0.039	2	110.4320	0.010	4	110.3842	0.019	5	110.3842	0.019	5	110.3842	0.019	5	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6]-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)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	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>}	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>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.5710	0.000	1	110.4320	0.010	4	110.3842	0.019	5	110.3842	0.019	5	110.3842	0.019	5	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6]-4:	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)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	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>}	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>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])	110.1930	0.000	1	110.1930	0.000	1	110.3842	0.019	5	110.3842	0.019	5	110.3842	0.019	5	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-3:	C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6,6]C[6])	H(C[5,6,6]C[5,5,6,6]O[5,6]O[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){1|C<4>,2|H<1>,3|C<3>}	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>}	H(C[5,6,6]C[5,5,6,6]O[5,6]O[6])	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-3:	C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]C[6])	H(C[5,6,6]C[5,5,6,6]N[5,6]O[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){1|C<4>,2|H<1>,3|C<3>}	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>}	H(C[5,6,6]C[5,5,6,6]N[5,6]O[6])	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	109.9199	0.180	35	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.8959	0.357	17	109.8300	0.146	20	109.8851	0.142	34	109.9199	0.180	35	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.4567	0.352	3	109.8300	0.146	20	109.8851	0.142	34	109.9199	0.180	35	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.8260	0.000	1	109.9639	0.135	14	109.8851	0.142	34	109.9199	0.180	35	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.9594	0.393	12	109.9639	0.135	14	109.8851	0.142	34	109.9199	0.180	35	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	110.1550	0.000	1	109.9639	0.135	14	109.8851	0.142	34	109.9199	0.180	35	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	108.5510	0.000	1	108.5685	0.001	2	108.5685	0.001	2	107.8857	3.895	6	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	108.5860	0.000	1	108.5685	0.001	2	108.5685	0.001	2	107.8857	3.895	6	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	107.8857	3.895	6	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-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]H)(O[6]C[6,6a])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	108.4850	0.000	1	108.4850	0.000	1	108.4850	0.000	1	107.8857	3.895	6	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	107.8857	3.895	6	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	103.8940	0.000	1	103.8940	0.000	1	103.8940	0.000	1	107.8857	3.895	6	109.6444	1.162	42	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	2:4:2:1:	4:3:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	H(C[5,6]O[5,6]C[5]O[6])	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>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	109.8757	0.137	6	109.8757	0.019	6	109.8757	0.019	6	109.8757	0.019	6	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:2:1:	4:3:	4:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6]C[5,6a]O[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,6a]O[5,6]O[6])	111.2355	0.074	2	111.2355	0.006	2	111.2355	0.006	2	111.2355	0.006	2	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:3:1:	3:4:	4:	N[5,6]-3:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	H(C[5,6]N[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]N[5,6]C[5]O[6])	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.0550	0.000	1	109.2853	0.063	3	109.6313	0.174	6	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.4005	0.214	2	109.2853	0.063	3	109.6313	0.174	6	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.0750	0.000	1	110.0750	0.000	1	109.6313	0.174	6	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.9285	0.108	2	109.9285	0.012	2	109.6313	0.174	6	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	H(C[5,6]N[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]N[5,6]C[5]O[6])	106.8800	0.000	1	108.8845	8.036	2	109.1677	4.259	3	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	H(C[5,6]N[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]N[5,6]C[5]O[6])	110.8890	0.000	1	108.8845	8.036	2	109.1677	4.259	3	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:2:4:1:	3:4:	4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	H(C[5,6]N[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]N[5,6]C[5]O[6])	109.7340	0.000	1	109.7340	0.000	1	109.1677	4.259	3	109.4768	1.227	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:3:2:1:	4:3:	4:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6]N[5,5a]C[5,6]O[6])	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>}	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>}	H(C[5,6]N[5,5a]C[5,6]O[6])	110.4490	0.000	1	110.6307	0.069	3	110.6307	0.069	3	110.6307	0.069	3	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:3:2:1:	4:3:	4:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	O[6](C[5,6]N[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6]N[5,5a]C[5,6]O[6])	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>}	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>}	H(C[5,6]N[5,5a]C[5,6]O[6])	110.7215	0.296	2	110.6307	0.069	3	110.6307	0.069	3	110.6307	0.069	3	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	104.4040	0.000	1	104.4040	0.000	1	104.4040	0.000	1	108.8444	9.634	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6]C[5,6a]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	108.8444	9.634	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)	H(C[5,6]C[5,6a]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,6a]C[5,6]O[6])	108.3550	0.000	1	108.3550	0.000	1	109.2837	4.245	3	108.8444	9.634	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O)	H(C[5,6]C[5,6a]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,6a]C[5,6]O[6])	107.8510	0.000	1	107.8510	0.000	1	109.2837	4.245	3	108.8444	9.634	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)	H(C[5,6]C[5,6a]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.6450	0.000	1	111.6450	0.000	1	109.2837	4.245	3	108.8444	9.634	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.0490	0.000	1	110.0490	0.000	1	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.5490	0.413	2	109.9413	1.193	3	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	108.7260	0.000	1	109.9413	1.193	3	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	107.9700	0.000	1	109.0523	1.934	3	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	108.5660	0.000	1	109.0523	1.934	3	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.6210	0.000	1	109.0523	1.934	3	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.6800	0.000	1	110.6800	0.000	1	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	108.8200	0.000	1	108.8200	0.000	1	109.6144	1.185	9	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H)	H(C[5,6]C[5,6]O[6]S[5])	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>}	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>}	H(C[5,6]C[5,6]O[6]S[5])	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	109.7332	1.027	11	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3x5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[3x5,6]O[5]H)(C[6]C[6]O)	H(C[5,6]C[3x5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[3x5,6]O[5]O[6])	110.3785	0.129	2	110.3785	0.017	2	110.3785	0.017	2	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)	H(C[5,6]C[5,5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,5,6]O[5]O[6])	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	108.8400	0.000	1	108.8400	0.000	1	109.6453	1.052	6	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	108.6725	0.384	2	108.6725	0.147	2	109.6453	1.052	6	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)	H(C[5,6]C[5,6]O[5]O[6])	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>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C){2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	110.4770	0.000	1	110.4770	0.000	1	109.6453	1.052	6	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.6050	0.191	2	110.6050	0.036	2	109.6453	1.052	6	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	109.9450	0.736	10	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.1840	0.367	3	109.1840	0.135	3	109.3920	0.376	5	110.1910	1.219	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.3780	0.000	1	110.3780	0.000	1	109.3920	0.376	5	110.1910	1.219	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.0300	0.000	1	109.0300	0.000	1	109.3920	0.376	5	110.1910	1.219	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)	H(C[5,6]C[5,6]N[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]N[5]O[6])	111.6850	0.124	2	111.6850	0.015	2	111.1898	0.354	4	110.1910	1.219	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)	H(C[5,6]C[5,6]N[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]N[5]O[6])	110.6945	0.258	2	110.6945	0.067	2	111.1898	0.354	4	110.1910	1.219	9	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.2300	3.025	2	110.2300	9.151	2	109.9317	5.340	4	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.6335	2.552	2	109.6335	6.512	2	109.9317	5.340	4	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.7650	0.000	1	110.7650	0.000	1	110.8733	1.421	11	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.3557	0.571	6	111.3546	0.272	7	110.8733	1.421	11	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.3480	0.000	1	111.3546	0.272	7	110.8733	1.421	11	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	108.0270	0.000	1	108.0270	0.000	1	110.8733	1.421	11	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.8410	0.000	1	110.6660	2.761	2	110.8733	1.421	11	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.4910	0.000	1	110.6660	2.761	2	110.8733	1.421	11	110.6222	2.345	15	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:3:2:1:	4:2:	4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-4:S[6]-2:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H)	O[6](C[5,6]C[5,5]N[5,6]H)(S[6]C[6,6a])	H(C[5,6]C[5,5]N[5,6]O[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	O[6](C[5,6]C[5,5]N[5,6]H)(S[6]C[6,6a]){2|C<4>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]O[6])	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	106.0010	17.721	4	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:3:2:1:	4:2:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:N[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6])	H(C[5,6]C[5,6]N[5]O[6])	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>}	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]){3|C<3>,3|C<4>}	H(C[5,6]C[5,6]N[5]O[6])	104.4743	3.549	3	104.4743	12.598	3	104.4743	12.598	3	106.0010	17.721	4	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-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)	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5])	H(C[5,6]C[3x5,6]N[5,6]O[6])	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>}	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>}	H(C[5,6]C[3x5,6]N[5,6]O[6])	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.2124	0.538	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a])	H(C[5,6]C[5,5,6]C[5,6a]O[6])	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>}	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>}	H(C[5,6]C[5,5,6]C[5,6a]O[6])	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	110.2124	0.538	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6]C[5,5,6]N[5]O[6])	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>}	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>}	H(C[5,6]C[5,5,6]N[5]O[6])	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	110.2124	0.538	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6])	H(C[5,6]C[5,6]N[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]N[5]O[6])	110.7280	0.576	2	110.7280	0.331	2	110.7280	0.331	2	110.2124	0.538	5	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:2:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])	H(C[5,6]C[5,6]C[5]O[6])	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>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]){1|Cl<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5,6]C[5,6]O[6])	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,5,6]C[5]O[6])	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	H(C[5,6]C[5,5]C[5,6]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){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.8366	1.349	7	111.0692	1.580	9	111.0692	1.580	9	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	H(C[5,6]C[5,5]C[5,6]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){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8835	0.112	2	111.0692	1.580	9	111.0692	1.580	9	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	107.9950	0.000	1	107.9950	0.000	1	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.4720	0.000	1	111.2615	0.074	4	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.1913	0.285	3	111.2615	0.074	4	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.5140	0.000	1	111.5140	0.000	1	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.9790	0.286	2	111.5393	0.621	3	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.6600	0.000	1	111.5393	0.621	3	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8890	0.000	1	111.8890	0.000	1	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.2830	0.000	1	111.2830	0.000	1	111.1223	1.261	11	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)	H(C[5,6]C[5,6,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6,6]C[5]O[6])	109.0415	0.144	2	109.0415	0.021	2	109.6157	0.999	3	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6,6]C[5]O[6])	110.7640	0.000	1	110.7640	0.000	1	109.6157	0.999	3	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	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)	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)	H(C[5,6]C[5,6]2O[6])	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>}	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>}	H(C[5,6]C[5,6]2O[6])	110.7420	0.000	1	110.7420	0.000	1	109.1275	5.213	2	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-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)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6])	H(C[5,6]C[5,6]2O[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){1|N<2>,3|C<4>,7|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6]){2|H<1>,7|C<4>}	H(C[5,6]C[5,6]2O[6])	107.5130	0.000	1	107.5130	0.000	1	109.1275	5.213	2	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.9320	0.000	1	108.9320	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.5360	0.000	1	109.5360	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	103.1200	0.000	1	103.1200	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.5730	0.000	1	110.5730	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.9350	0.000	1	110.9350	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.9690	0.000	1	110.9690	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	108.9550	0.000	1	108.9550	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.3100	0.000	1	111.2580	0.005	2	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.2060	0.000	1	111.2580	0.005	2	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.0100	0.000	1	110.0100	0.000	1	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.6600	0.000	1	110.3357	1.579	3	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.6735	0.726	2	110.3357	1.579	3	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.1790	0.390	2	110.1790	0.152	2	109.7941	4.155	15	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP2	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	P[5,6]-4:B[5]-4:O[6]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6]-4:	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H)	O[6](C[5,6]P[5,6]B[5]H)(B[6]C[6a]C[6])	H(C[5,6]P[5,6]B[5]O[6])	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>}	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>}	H(C[5,6]P[5,6]B[5]O[6])	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	110.3302	3.229	43	110.0284	3.210	124	109.9445	2.636	171
474	622	951	0:SP3_SP-NON_SP3	C[5,3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[4x6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H)	H(C[5,3x6]C[5,5x6]C[5,6]O[6,6])	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H){1|C<3>,1|H<1>,6|C<4>}	H(C[5,3x6]C[5,5x6]C[5,6]O[6,6])	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-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)	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6])	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[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){3|O<2>,7|H<1>}	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>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]O[6])	112.1090	0.000	1	112.1090	0.000	1	112.1090	0.000	1	112.1090	0.000	1	112.1090	0.000	1	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:	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)	H(C[5,6,6]C[5,6,6]O[5,6]O[6,6])	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>}	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>}	H(C[5,6,6]C[5,6,6]O[5,6]O[6,6])	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	110.2297	5.217	3	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)	H(C[5,6,6]C[5,3x6]O[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H){2|C<4>,3|O<2>,5|H<1>}	H(C[5,6,6]C[5,3x6]O[6,6]C[5])	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	109.6130	8.153	2	110.2297	5.217	3	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)	H(C[5,6,6]C[5,4x6]O[6,6]C[5])	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,6,6]C[5,4x6]O[6,6]C[5])	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	109.6130	8.153	2	110.2297	5.217	3	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	H(C[5,6,6]C[5,3x6]C[5,6]O[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){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	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>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.2430	0.000	1	112.1845	0.007	2	112.1845	0.007	2	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	H(C[5,6,6]C[5,3x6]C[5,6]O[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){2|O<2>,5|C<4>,5|H<1>}	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>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.1260	0.000	1	112.1845	0.007	2	112.1845	0.007	2	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	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[6])(H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC)	H(C[5,6,6]C[5,3x6]C[5,6]O[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[6])(H){2|O<2>,5|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:Si[6]-4:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC)	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,3x6]C[5,6]O[6])	111.5305	0.231	2	111.5305	0.053	2	111.5305	0.053	2	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC)	H(C[5,6,6]C[5,4x6]C[5,6]O[6])	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,3|C<4>}	H(C[5,6,6]C[5,4x6]C[5,6]O[6])	111.9000	0.233	2	111.9000	0.054	2	111.9000	0.054	2	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[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<2>,5|C<4>,7|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC){6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]O[6])	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6])	H(C[5,6,6]C[5,5,6,6]C[5,6]O[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){1|C<4>,3|O<2>,4|H<1>}	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>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]O[6])	108.4365	0.305	2	108.4365	0.093	2	108.4365	0.093	2	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.3920	0.434	2	109.4680	0.072	4	109.4680	0.072	4	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-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)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	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>}	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>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.5440	0.055	2	109.4680	0.072	4	109.4680	0.072	4	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6])	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH){1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]O[6])	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.5532	1.858	17	110.5532	1.858	17	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	2:4:2:1:	4:4:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO)	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	109.4550	0.000	1	109.4550	0.000	1	109.6590	0.083	2	108.1430	6.936	3	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	2:4:2:1:	4:4:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH){1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	109.8630	0.000	1	109.8630	0.000	1	109.6590	0.083	2	108.1430	6.936	3	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	2:4:2:1:	4:4:	4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H)	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H){4|H<1>,5|C<4>}	H(C[5,6]O[5,6]C[5]O[6])	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	108.1430	6.936	3	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5,6,6a]-3:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H)	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6])	H(C[5,6]C[5,6,6a]C[5,6a]O[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|S<2>,5|C<3>}	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6]){1|C<4>,1|H<1>,8|C<3>}	H(C[5,6]C[5,6,6a]C[5,6a]O[6])	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	109.8145	3.780	4	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|Ni<4>,1|C<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	108.3980	0.151	2	108.3980	0.023	2	108.9147	0.812	3	109.8145	3.780	4	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){1|N<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	109.9480	0.000	1	109.9480	0.000	1	108.9147	0.812	3	109.8145	3.780	4	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H){2|H<1>,6|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.0015	0.067	2	111.0015	0.005	2	110.4236	3.223	5	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]O[6])	107.3790	0.000	1	107.3790	0.000	1	110.4236	3.223	5	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO){1|C<4>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	112.1320	0.000	1	112.1320	0.000	1	110.4236	3.223	5	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	110.6040	0.000	1	110.6040	0.000	1	110.4236	3.223	5	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	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)	H(C[5,6]N[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]N[5,6]C[5]O[6])	111.0840	0.187	2	111.0840	0.035	2	111.0840	0.035	2	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]N[5,6]C[5]O[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]O[6])	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.4744	1.842	9	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,5,6]O[5]O[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,5|H<1>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]O[5]O[6])	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:N[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]N[5]O[6])	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:N[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]N[5]O[6])	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	110.0730	0.000	1	110.0730	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.6580	0.000	1	109.6580	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	107.9460	0.000	1	107.9460	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	110.7010	0.000	1	110.7010	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	104.4480	0.000	1	104.4480	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[5,6]C[5,6]O[5]O[6])	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	103.8700	0.000	1	108.5207	2.925	25	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.1960	0.000	1	108.5207	2.925	25	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	108.6935	1.468	23	108.5207	2.925	25	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H){3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.0720	0.000	1	109.0720	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H)	H(C[5,6]C[5,6]O[5]O[6])	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H){1|C<3>,1|S<2>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.3170	0.000	1	109.3170	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	H(C[5,6]C[5,6]O[5]O[6])	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	108.3310	0.000	1	107.1487	5.074	3	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	104.5510	0.000	1	107.1487	5.074	3	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){3|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	108.5640	0.000	1	107.1487	5.074	3	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H)	H(C[5,6]C[5,6]O[5]O[6])	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.2130	0.000	1	109.2130	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	109.5480	1.215	2	109.5480	1.476	2	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	111.1870	0.000	1	111.1870	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	107.7840	0.000	1	109.2980	1.203	4	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5,6]C[5,6]O[5]O[6])	109.2420	0.000	1	109.2980	1.203	4	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	109.8800	0.000	1	109.2980	1.203	4	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]O[5]O[6])	110.2860	0.000	1	109.2980	1.203	4	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	108.3250	0.000	1	108.3250	0.000	1	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	109.5030	0.000	1	110.5435	2.165	2	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[5]O[6])	111.5840	0.000	1	110.5435	2.165	2	108.7343	3.062	46	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(P[6]C[6a]C[6]O)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)	H(C[5,6]C[5,6]O[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]O[5]O[6])	110.7685	0.005	2	110.7685	0.000	2	110.7685	0.000	2	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[5,6]O[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]O[5]O[6])	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]O[6]S[5])	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]O[6]S[5])	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[3x6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H)	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	109.9590	0.186	4	109.9590	0.034	4	109.9590	0.034	4	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO)	H(C[5,6]O[5,6]C[5]O[6])	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]O[6])	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	109.0465	2.999	59	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	111.4150	1.242	2	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)	H(C[5,6]C[5,6]N[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]N[5]O[6])	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	111.4150	1.242	2	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H){2|C<4>,7|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH){1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]N[5]O[6])	109.1850	0.000	1	109.1850	0.000	1	110.2245	2.161	2	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,5,6]N[5]O[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]N[5]O[6])	111.2640	0.000	1	111.2640	0.000	1	110.2245	2.161	2	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]O[6])	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5]N[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH){1|O<2>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]N[5,6]O[6])	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(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)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.1130	0.318	2	110.1130	0.101	2	110.1130	0.101	2	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|N<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]N[5]O[6])	111.3770	0.000	1	111.3770	0.000	1	110.7520	1.652	5	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H){1|C<4>,2|O<1>,4|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	110.9585	0.086	2	110.9585	0.007	2	110.7520	1.652	5	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[5]O[6])	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]N[5]O[6])	110.2330	2.363	2	110.2330	5.584	2	110.7520	1.652	5	109.9111	2.556	12	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.4720	0.000	2	111.4720	0.000	2	111.4720	0.000	2	111.4720	0.000	2	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	111.0634	0.404	8	111.0403	0.148	9	110.3767	4.535	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|Br<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	110.8560	0.000	1	111.0403	0.148	9	110.3767	4.535	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	104.4040	0.000	1	104.4040	0.000	1	110.3767	4.535	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O)	H(C[5,6]C[5,3x6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,3x6]C[5]O[6])	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,5,6,6]C[5]O[6])	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H){1|O<2>,5|C<4>,6|H<1>}	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC){1|C<2>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]O[6])	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC)	H(C[5,6]C[5,5,6]C[5,6]O[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){2|O<2>,6|H<1>,7|C<4>}	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC){1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]O[6])	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-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)	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H)	H(C[5,6]C[5,5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,5,6]C[5]O[6])	111.6130	0.256	2	111.6130	0.066	2	111.6130	0.066	2	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,5,6]C[5]O[6])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]O[6])	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	H(C[5,6]C[5,5]C[5,6]O[6])	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){2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8266	0.189	7	111.8266	0.036	7	111.7866	0.535	19	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	H(C[5,6]C[5,5]C[5,6]O[6])	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|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.5430	0.000	1	111.9894	0.267	10	111.7866	0.535	19	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	H(C[5,6]C[5,5]C[5,6]O[6])	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>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8373	0.464	6	111.9894	0.267	10	111.7866	0.535	19	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	H(C[5,6]C[5,5]C[5,6]O[6])	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){2|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.1090	0.647	3	111.9894	0.267	10	111.7866	0.535	19	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)	H(C[5,6]C[5,5]C[5,6]O[6])	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>,2|O<2>,5|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.0350	0.000	1	112.0350	0.000	1	111.7866	0.535	19	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]O[6])	109.2310	0.000	1	109.2310	0.000	1	111.7866	0.535	19	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	112.3010	0.000	1	112.3010	0.000	1	111.3410	1.177	4	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	110.1220	0.000	1	110.1220	0.000	1	111.3410	1.177	4	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:	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)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO)	H(C[5,6]C[5,5]C[5,6]O[6])	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>}	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>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.4705	1.044	2	111.4705	1.091	2	111.3410	1.177	4	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH)	H(C[5,6]C[5,5]C[5,6]O[6])	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5]C[5,6]O[6])	111.8330	0.000	1	111.8330	0.000	1	111.8330	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[6])	111.7630	0.027	2	111.7630	0.001	2	110.7917	0.893	6	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2O[6])	110.9440	0.059	2	110.9440	0.004	2	110.7917	0.893	6	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)	H(C[5,6]C[5,6]2O[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6]2O[6])	109.6680	0.000	2	109.6680	0.000	2	110.7917	0.893	6	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]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)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.7490	0.000	1	110.0100	0.136	2	111.2866	2.318	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]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)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	110.2710	0.000	1	110.0100	0.136	2	111.2866	2.318	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	112.8723	0.143	3	112.8312	0.020	4	111.2866	2.318	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	112.7080	0.000	1	112.8312	0.020	4	111.2866	2.318	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.3110	0.000	2	109.3110	0.000	2	111.2866	2.318	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:	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)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	111.4495	0.064	2	111.4495	0.004	2	111.2866	2.318	10	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.9690	0.478	3	111.9690	0.229	3	110.8310	6.153	5	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	106.4370	0.000	1	106.4370	0.000	1	110.8310	6.153	5	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8110	0.000	1	111.8110	0.000	1	110.8310	6.153	5	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	110.8660	0.000	1	110.8660	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.8997	0.346	4	110.8997	0.120	4	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.2040	0.000	1	111.2040	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.6305	0.289	6	110.6305	0.084	6	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	109.6385	0.018	2	109.6385	0.000	2	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.0590	0.000	1	111.0590	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.9090	0.094	3	110.9090	0.009	3	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	110.8975	0.349	4	110.8975	0.122	4	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.0817	0.168	4	112.0817	0.028	4	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	108.2270	0.000	1	108.2270	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.3720	0.000	1	111.1377	0.479	3	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	111.5205	0.279	2	111.1377	0.479	3	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	110.9935	0.564	8	110.9935	0.318	8	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.7940	0.000	1	108.7940	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.3970	0.000	1	111.3970	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	106.5630	0.000	1	106.5630	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.4880	0.000	1	112.4880	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.0930	0.181	2	111.0930	0.033	2	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	106.6580	0.000	1	106.6580	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	107.1030	0.000	1	107.1030	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.2600	0.000	1	108.2600	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.1760	0.000	1	109.0237	1.951	7	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.5260	0.000	1	109.0237	1.951	7	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.4928	0.167	5	109.0237	1.951	7	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8130	0.000	1	111.8130	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8180	0.000	1	111.8180	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	111.7005	2.860	2	111.7005	8.181	2	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]O[6])	112.5350	0.000	1	112.5350	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	111.3250	0.000	1	111.3250	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.4100	0.000	1	112.4100	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	111.8280	0.000	1	111.8280	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	108.1630	0.000	1	108.1630	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	113.3530	0.000	1	113.3530	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]O[6])	112.4460	1.582	3	111.7604	3.522	5	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	109.0650	0.000	1	111.7604	3.522	5	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	112.3990	0.000	1	111.7604	3.522	5	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	112.1900	0.000	1	112.1900	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]O[6])	108.4545	0.513	2	108.4545	0.263	2	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	112.2080	0.000	1	112.2080	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]C[5]O[6])	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]O[6])	109.5800	0.000	1	109.5800	0.000	1	110.6347	2.514	74	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.8990	0.754	2	109.8990	0.568	2	109.5888	0.474	5	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.3820	0.710	3	109.3820	0.503	3	109.5888	0.474	5	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	951	0:SP3_SP-NON_SP3	C[5,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:Si[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC)	H(C[5,6]C[5,6]C[5]O[6])	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>}	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>}	H(C[5,6]C[5,6]C[5]O[6])	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	110.8371	2.493	142	110.2802	3.235	233	110.3061	3.131	255
474	622	955	6:SP3_SP2_SP3	C[5,6]	O[6]	P[5,6]	4:4:2:1:	4:3:	4:3:4:4:	P[5,6]-4:B[5]-4:O[6]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6](P[5,6]C[6a]C[5]C[6])(B[5]C[6a]2C[5])(O[6]B[6])(H)	O[6](C[5,6]P[5,6]B[5]H)(B[6]C[6a]C[6])	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	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>}	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>}	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|B<3>,2|C<4>,4|C<3>,4|H<1>}	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1
474	622	956	0:SP3_SP2_SP2	C[5,6]	O[6]	N	4:2:4:3:	3:4:	4:3:1:	C[5,6]-4:O[6]-2:C[5]-4:N-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6a]-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)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N)	N(C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]2)(H)	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>}	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>}	N(C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]2)(H)	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1
474	622	960	0:SP3_SP2_SP2	C[5,6]	O[6]	N[5]	4:3:2:2:	3:4:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-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])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]O[5]C)	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>}	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>}	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]O[5]C){1|H<1>,1|O<2>,3|C<3>}	106.8540	0.000	1	106.8540	0.000	1	108.8940	8.323	2	108.8940	8.323	2	108.8940	8.323	2	108.8940	8.323	2
474	622	960	0:SP3_SP2_SP2	C[5,6]	O[6]	N[5]	4:3:2:2:	3:4:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-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])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]S[5]C)	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>}	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>}	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]S[5]C){1|H<1>,1|O<2>,3|C<3>}	110.9340	0.000	1	110.9340	0.000	1	108.8940	8.323	2	108.8940	8.323	2	108.8940	8.323	2	108.8940	8.323	2
474	622	960	0:SP3_SP2_SP3	C[5,6]	O[6]	N[5]	4:2:2:1:	4:4:	4:3:	C[5,5,6]-4:O[6]-2:N[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]C[6a]){2|C<4>,2|H<1>,3|C<3>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.1775	0.142	2	107.7212	3.555	4	107.7212	3.555	4
474	622	960	0:SP3_SP2_SP3	C[5,6]	O[6]	N[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:N[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5])	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	106.1775	0.142	2	107.7212	3.555	4	107.7212	3.555	4
474	622	960	0:SP3_SP2_SP3	C[5,6]	O[6]	N[5]	4:4:2:2:	4:4:	4:3:	C[5]-4:C[6]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5])	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	109.2650	0.991	2	107.7212	3.555	4	107.7212	3.555	4
474	622	960	0:SP3_SP2_SP3	C[5,6]	O[6]	N[5]	4:4:2:2:	4:4:	4:3:	C[6]-4:C[5]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5])	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.2650	0.991	2	107.7212	3.555	4	107.7212	3.555	4
474	622	976	0:SP3_SP2_SP2	C[5,5,6]	O[6]	O[5]	4:3:2:2:	4:3:	4:3:	C[3x5,6]-4:C[5,6a]-3:O[6]-2:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:	C[5,5,6]-4:C[5]-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])	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,5,6]C[3x5,6]C[5,6a]O[6])(C[5]C[5,5]O)	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>}	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>}	O[5](C[5,5,6]C[3x5,6]C[5,6a]O[6])(C[5]C[5,5]O){1|C<4>,1|N<3>,5|C<3>}	102.5590	0.000	1	102.5590	0.000	1	102.5590	0.000	1	102.5590	0.000	1	102.5590	0.000	1	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.7460	0.645	2	108.7460	0.645	2	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|O<2>,2|C<3>}	109.3140	0.000	1	109.3140	0.000	1	108.7460	0.645	2	108.7460	0.645	2	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:3:	C[3x5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[3x5,6]O[5]H)(C[6]C[6]O)	O[5](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5]O)	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>}	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>}	O[5](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5]O){1|C<3>,1|H<1>,3|C<4>}	104.7810	0.602	2	104.7810	0.363	2	104.7810	0.363	2	104.7810	0.363	2	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	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>}	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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	107.2105	0.524	2	107.2254	0.119	5	107.3443	0.169	12	107.3443	0.169	12	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	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>}	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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	107.0975	0.295	2	107.2254	0.119	5	107.3443	0.169	12	107.3443	0.169	12	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	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>}	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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	107.5110	0.000	1	107.2254	0.119	5	107.3443	0.169	12	107.3443	0.169	12	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	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>}	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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.4291	0.458	7	107.4291	0.209	7	107.3443	0.169	12	107.3443	0.169	12	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]O[6]C)(C[5]N[5]H)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]N[5]H){1|C<4>,2|C<3>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.2244	1.236	17	106.9652	2.372	18
474	622	976	0:SP3_SP2_SP3	C[5,3x6]	O[6]	O[5]	4:4:2:2:	4:3:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,3x6]-4:C[6]-3:	C[5,3x6]-4:C[5,6]-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])	O[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(C[6]C[6]O)	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H)	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>}	O[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(C[6]C[6]O){4|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	107.9265	1.124	2	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,3x6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[5,3x6]-4:C[3x6]-4:O[6]-2:O[5]-2:	C[5,3x6]-4:C[3x6]-4:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5])	O[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[3x6]C[5,3x6]C[3x6]H)	O[5](C[5,3x6]C[5,3x6]C[3x6]O[6])(C[5]C[5,6,6]O)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[3x6]C[5,3x6]C[3x6]H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	O[5](C[5,3x6]C[5,3x6]C[3x6]O[6])(C[5]C[5,6,6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	107.9265	1.124	2	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6,6]	O[6]	O[5,6]	4:2:2:1:	4:3:	4:4:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-3:	C[5,5,6]-4:C[5,6,6]-4:	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)	O[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6,6]C[6])	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)	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>}	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>}	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H){2|H<1>,4|C<3>}	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6,6]	O[6]	O[5]	4:2:4:2:	4:3:	4:4:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5]-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])	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC)	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>}	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>}	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC){2|C<3>,3|C<4>,3|H<1>}	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	106.6200	13.278	4	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6,6]	O[6]	O[5]	4:3:2:2:	4:3:	4:4:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6]-4:C[5]-4:	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])	O[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH)	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>}	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>}	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	106.6200	13.278	4	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6,6]	O[6]	O[5]	4:3:2:2:	4:4:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	105.5510	22.862	2	106.6200	13.278	4	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6,6]	O[6]	O[5]	4:3:2:2:	4:4:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){1|O<1>,4|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	102.1700	0.000	1	102.1700	0.000	1	102.1700	0.000	1	105.5510	22.862	2	106.6200	13.278	4	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	2:2:2:2:	4:4:	3:4:	O[6]-2:O[6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	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])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]2)	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>}	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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]2){1|H<1>,2|C<3>,2|C<4>}	108.6080	2.165	2	108.6080	4.688	2	108.6080	4.688	2	108.8243	1.821	4	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	2:2:2:2:	4:4:	3:4:	O[6]-2:O[6]-2:O[5]-2:O[5]-2:	C[5,6,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	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])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]2)	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>}	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>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]2){1|H<1>,2|C<3>,2|C<4>}	109.0405	0.767	2	109.0405	0.589	2	109.0405	0.589	2	108.8243	1.821	4	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:2:3:2:	4:3:	4:4:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC)	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>}	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>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	108.8397	0.394	3	108.8397	0.155	3	108.8397	0.155	3	108.8397	0.155	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:2:4:2:	4:3:	4:4:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	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>}	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>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	109.5600	0.000	1	109.2903	0.055	3	109.2903	0.055	3	109.2903	0.055	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:2:4:2:	4:3:	4:4:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	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>}	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>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	109.1555	0.008	2	109.2903	0.055	3	109.2903	0.055	3	109.2903	0.055	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:3:2:2:	4:3:	4:4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	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>}	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>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){1|Cl<1>,1|I<1>,3|C<3>}	109.0780	0.000	1	109.3405	0.138	2	109.3405	0.138	2	109.3405	0.138	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:3:2:2:	4:3:	4:4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6a]C[6])	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	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>}	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>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){2|I<1>,3|C<3>}	109.6030	0.000	1	109.3405	0.138	2	109.3405	0.138	2	109.3405	0.138	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:4:2:2:	4:4:	4:3:	C[5,6a]-3:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]HH){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]O){2|Cl<1>,2|C<3>,2|C<4>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.3540	0.015	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	3:4:2:2:	4:4:	4:3:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O)	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.3540	0.015	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	106.2470	0.000	1	106.2470	0.000	1	106.2470	0.000	1	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H)	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>}	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>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,4|C<3>}	107.1180	0.040	2	108.1023	2.908	3	107.5292	2.545	6	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<4>,3|C<3>}	110.0710	0.000	1	108.1023	2.908	3	107.5292	2.545	6	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	108.7690	0.000	1	107.3750	3.886	2	107.5292	2.545	6	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	105.9810	0.000	1	107.3750	3.886	2	107.5292	2.545	6	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	106.1180	0.000	1	106.1180	0.000	1	107.5292	2.545	6	107.6495	2.756	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS)	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>}	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>}	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS){1|C<3>,2|C<4>,2|H<1>}	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.3798	2.473	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.7990	0.000	1	110.7990	0.000	1	107.4482	3.261	6	107.3798	2.473	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	107.6410	0.522	2	107.6410	0.272	2	107.4482	3.261	6	107.3798	2.473	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C){2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	106.4150	0.000	1	106.4150	0.000	1	107.4482	3.261	6	107.3798	2.473	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	106.0965	0.084	2	106.0965	0.007	2	107.4482	3.261	6	107.3798	2.473	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	107.3798	2.473	8	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	107.5905	2.430	2	107.5905	5.906	2	107.5905	5.906	2	107.5905	5.906	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	109.5280	0.605	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|H<1>,2|C<4>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	109.5280	0.605	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:2:	4:4:	4:3:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6])	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H)	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C){2|C<4>,4|H<1>}	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:3:	3:4:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]O[6]C)(N[5]C[5,6]C)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]C)(N[5]C[5,6]C){2|H<1>,3|C<3>}	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	108.0285	0.334	2	108.0823	0.065	3	106.6674	3.794	5	106.6674	3.794	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	108.1900	0.000	1	108.0823	0.065	3	106.6674	3.794	5	106.6674	3.794	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	104.4210	0.000	1	104.5450	0.031	2	106.6674	3.794	5	106.6674	3.794	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	3:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	104.6690	0.000	1	104.5450	0.031	2	106.6674	3.794	5	106.6674	3.794	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	O[5](C[5,6]C[5,6]O[6]C)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){1|B<3>,1|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]C)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	109.5690	0.000	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]N)	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3){1|C<2>,1|H<1>,1|N<2>,2|C<4>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<2>,2|C<4>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]N){1|C<2>,1|H<1>,3|C<4>}	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5690	0.000	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:3:2:	4:4:	4:3:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:	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)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,3|H<1>}	109.2675	0.129	2	109.1083	0.084	3	109.1083	0.084	3	109.1083	0.084	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:3:2:	4:4:	4:3:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:	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)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,3|H<1>}	108.7900	0.000	1	109.1083	0.084	3	109.1083	0.084	3	109.1083	0.084	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:4:2:	3:4:	4:4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	106.9575	0.774	2	106.9575	0.600	2	107.3447	0.749	3	107.3447	0.749	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:4:2:	3:4:	4:4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	108.1190	0.000	1	108.1190	0.000	1	107.3447	0.749	3	107.3447	0.749	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:4:2:	4:3:	4:4:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH)	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>}	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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH){1|C<4>,2|C<3>,5|H<1>}	108.2540	0.000	1	108.2540	0.000	1	108.4347	0.078	3	108.4347	0.078	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:4:2:	4:3:	4:4:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	108.7570	0.000	1	108.5250	0.108	2	108.4347	0.078	3	108.4347	0.078	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:4:2:	4:3:	4:4:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	108.2930	0.000	1	108.5250	0.108	2	108.4347	0.078	3	108.4347	0.078	3	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:2:4:2:	4:4:	4:3:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[4]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6]){2|C<3>,2|C<4>,8|H<1>}	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[4]O[6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,5]-4:C[5,6]-4:	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])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])	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>}	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>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.3404	0.833	7	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6]-4:	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])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	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>}	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>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.4760	0.438	2	108.3292	1.227	5	108.3292	1.227	5	108.3404	0.833	7	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6]-4:	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])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	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>}	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>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.2313	1.524	3	108.3292	1.227	5	108.3292	1.227	5	108.3404	0.833	7	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)	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>}	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>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH){3|H<1>,4|C<3>}	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.3404	0.833	7	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:4:	4:3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6]-4:B[6]-4:	C[5,6]-4:C[5]-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])	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6])	O[5](C[5,6]C[5,6,6]C[6a]O[6])(C[5]C[5,6]C[6a])	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>}	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>}	O[5](C[5,6]C[5,6,6]C[6a]O[6])(C[5]C[5,6]C[6a]){1|B<4>,1|C<4>,1|H<1>,1|P<4>,4|C<3>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	110.0644	1.250	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:4:	4:3:	C[6]-4:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,4|H<1>}	109.0380	0.397	2	109.0380	0.158	2	109.0380	0.158	2	110.0644	1.250	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:4:	4:3:	C[6]-4:N[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6]N[5]O[5])(C[6]O[6]CC)	O[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[6]N[5]O[5])(C[6]O[6]CC){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.1995	0.334	2	111.1995	0.112	2	111.1995	0.112	2	110.0644	1.250	5	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5])	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	108.0965	0.428	2	108.0965	0.183	2	108.0965	0.183	2	108.0965	0.183	2	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,6|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,6|H<1>}	108.8440	0.000	1	108.8440	0.000	1	109.1065	0.404	4	108.4001	0.685	9	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C){2|C<4>,2|O<2>,4|H<1>}	109.3880	0.946	2	109.3880	0.895	2	109.1065	0.404	4	108.4001	0.685	9	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O)	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O){1|N<3>,3|C<4>,3|H<1>}	108.8060	0.000	1	108.8060	0.000	1	109.1065	0.404	4	108.4001	0.685	9	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(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)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,5|H<1>}	107.4840	0.000	2	107.4840	0.000	2	107.4840	0.000	2	108.4001	0.685	9	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]C)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]C){1|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,6|H<1>}	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.4001	0.685	9	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP2_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	O[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]O){3|C<4>,5|H<1>}	107.8750	0.190	2	107.8750	0.036	2	107.8750	0.036	2	108.4001	0.685	9	108.4054	2.031	76	108.3083	2.509	83
474	622	976	0:SP3_SP3_SP3	C[3x5,6]	O[6]	O[5,5]	4:4:2:2:	4:4:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:O[6]-2:	C[3x5,6]-4:C[6]-4:	C[3x5,6]-4:C[3,5,5]-4:	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6])	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H)	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6]){1|C<4>,5|C<3>,6|H<1>}	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H){2|C<4>,2|H<1>,3|C<3>}	110.7425	0.441	2	110.7425	0.194	2	110.7425	0.194	2	110.7425	0.194	2	110.7425	0.194	2	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,5,3x6]	O[6]	O[5,5]	4:4:2:2:	4:4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	C[5,5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC)	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C)	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C){1|C<3>,2|O<1>,4|C<4>}	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5]	4:2:2:4:	4:4:	4:2:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3)	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|O<2>,2|H<1>,3|C<4>}	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|O<2>,4|C<4>}	108.6060	0.175	2	108.6060	0.031	2	108.6927	0.038	3	108.6927	0.038	3	108.8665	0.146	4	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5]	4:2:2:4:	4:4:	4:2:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.8660	0.000	1	108.8660	0.000	1	108.6927	0.038	3	108.6927	0.038	3	108.8665	0.146	4	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5]	4:2:3:2:	4:4:	4:2:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C)	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	108.8665	0.146	4	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6,6]	O[6]	O[5,6]	4:2:4:2:	4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C)	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,5|H<1>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]H)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	3:3:2:2:	4:4:	4:4:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,4|C<3>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	3:4:2:2:	4:3:	4:4:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:N[5,6]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	107.4320	0.000	1	104.0920	22.311	2	104.0920	22.311	2	104.0920	22.311	2	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	3:4:2:2:	4:3:	4:4:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:N[5,6]-3:	C[5,6]-4:C[5]-4:	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])	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	100.7520	0.000	1	104.0920	22.311	2	104.0920	22.311	2	104.0920	22.311	2	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	3:4:2:2:	4:4:	4:4:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){1|O<1>,2|C<4>,2|H<1>}	112.7545	0.395	2	112.7545	0.156	2	112.7545	0.156	2	112.7545	0.156	2	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,5|H<1>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO){1|O<2>,2|C<4>,2|H<1>}	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H){2|C<4>,3|H<1>,3|O<2>}	110.9400	0.000	1	110.9400	0.000	1	110.2275	1.015	2	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H){1|C<3>,2|H<1>,3|C<4>}	109.5150	0.000	1	109.5150	0.000	1	110.2275	1.015	2	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H){1|C<3>,4|C<4>,5|H<1>}	110.8580	0.000	1	110.8580	0.000	1	110.8580	0.000	1	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H){1|C<3>,3|C<4>,3|H<1>}	106.9900	0.000	1	106.9900	0.000	1	108.6700	5.645	2	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H){4|C<4>,4|H<1>}	110.3500	0.000	1	110.3500	0.000	1	108.6700	5.645	2	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.5070	0.000	1	110.4551	0.283	24	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.4528	0.544	23	110.4551	0.283	24	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	109.7590	0.000	1	109.7590	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H){3|C<4>,3|H<1>,3|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.2300	0.000	1	111.2300	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H){1|C<3>,1|S<2>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7360	0.000	1	110.7360	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.3320	0.000	1	110.3267	0.576	3	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.5650	0.000	1	110.3267	0.576	3	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){3|C<4>,3|H<1>,3|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	111.0830	0.000	1	110.3267	0.576	3	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	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|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7610	0.000	1	110.7610	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	107.3340	0.000	1	107.3340	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){2|H<1>,3|C<4>}	110.1870	0.000	1	108.6235	4.889	2	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	107.0600	0.000	1	108.6235	4.889	2	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<4>,2|H<1>,3|C<3>}	106.7820	0.000	1	106.7820	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O){1|H<1>,2|C<3>,2|C<4>}	111.5210	0.000	1	111.5210	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	106.8000	0.000	1	106.8000	0.000	1	110.1101	1.497	37	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	O[6](C[5,6]C[5,6]O[5]H)(P[6]C[6a]C[6]O)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|P<4>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	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>}	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>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	107.6615	0.293	2	107.6615	0.086	2	107.6615	0.086	2	109.9219	1.797	46	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:2:	4:4:	4:4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH)	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>}	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC){1|C<3>,1|H<1>,3|C<4>}	108.1220	0.272	2	108.1220	0.074	2	108.1220	0.074	2	108.5267	4.449	15	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:2:	4:4:	4:4:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[5]C[5])2(O[6]C[6])	O[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	108.7110	2.326	12	108.7110	5.409	12	108.5889	5.152	13	108.5267	4.449	15	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:2:	4:4:	4:4:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6])	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H)	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	107.1240	0.000	1	107.1240	0.000	1	108.5889	5.152	13	108.5267	4.449	15	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3)	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO){2|H<1>,3|C<4>}	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	109.3102	1.382	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:4:	C[5,5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3)	O[6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]C[6]O)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O[6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH){1|O<1>,3|C<4>}	108.2300	0.305	2	108.2300	0.093	2	108.2300	0.093	2	109.3102	1.382	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5]C[6]H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3){2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC){1|H<1>,1|O<2>,3|C<4>}	108.9170	0.000	1	108.9170	0.000	1	110.0542	0.512	5	109.3102	1.382	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.5790	0.000	1	110.5790	0.000	1	110.0542	0.512	5	109.3102	1.382	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:2:4:	4:4:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.2583	0.421	3	110.2583	0.177	3	110.0542	0.512	5	109.3102	1.382	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:3:2:	4:4:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-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])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	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>}	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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	109.9403	0.279	3	109.9303	0.052	4	109.9303	0.052	4	110.2541	0.872	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:3:2:	4:4:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-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])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	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>}	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>}	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.9000	0.000	1	109.9303	0.052	4	109.9303	0.052	4	110.2541	0.872	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:3:2:	4:4:	4:4:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|O<1>,4|H<1>,5|C<4>}	109.5100	0.321	2	109.5100	0.103	2	109.5100	0.103	2	110.2541	0.872	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:2:3:2:	4:4:	4:4:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[4,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	111.6460	0.666	2	111.6460	0.444	2	111.6460	0.444	2	110.2541	0.872	8	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<1>,1|S<4>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,5|H<1>}	109.7650	0.000	1	109.7650	0.000	1	110.2540	0.281	26	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|F<1>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O){1|F<1>,5|C<4>,5|H<1>}	112.0150	0.000	1	112.0150	0.000	1	110.2540	0.281	26	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){4|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){5|C<4>,6|H<1>}	110.2010	0.397	24	110.2010	0.158	24	110.2540	0.281	26	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5]C[6]O[6])2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])2{1|O<2>,5|C<4>,6|H<1>}	109.7650	0.000	1	109.7650	0.000	1	109.5575	0.086	2	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5]C[6]O[6])2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]O[6])2{1|O<2>,5|C<4>,6|H<1>}	109.3500	0.000	1	109.3500	0.000	1	109.5575	0.086	2	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C)	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){4|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C){1|O<2>,5|C<4>,5|H<1>}	110.4890	0.638	2	110.4890	0.407	2	110.4754	1.320	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.2820	0.000	1	109.2820	0.000	1	110.4754	1.320	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.8820	0.000	1	109.8820	0.000	1	110.4754	1.320	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){2|C<4>,3|H<1>,4|O<2>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){2|C<4>,2|H<1>,2|O<2>}	112.2350	0.000	1	112.2350	0.000	1	110.4754	1.320	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:	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)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	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>}	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>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|O<2>,3|C<4>,3|H<1>}	105.4080	0.000	1	105.4080	0.000	1	105.4080	0.000	1	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){3|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H){1|O<2>,5|H<1>,6|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){3|C<4>,5|H<1>}	110.4760	0.000	1	110.4760	0.000	1	110.4876	0.618	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5]){2|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){6|C<4>,7|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<2>,3|C<4>,4|H<1>}	110.0230	0.000	1	110.0230	0.000	1	110.4876	0.618	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){5|C<4>,8|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5840	0.000	1	109.5840	0.000	1	110.4876	0.618	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	111.1775	0.699	2	111.1775	0.489	2	110.4876	0.618	5	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){2|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|Fe<7>,2|C<4>,5|H<1>}	110.0800	0.000	1	110.0800	0.000	1	110.4725	0.308	2	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	0:SP3_SP3_SP3	C[5,6]	O[6]	O[5]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	110.8650	0.000	1	110.8650	0.000	1	110.4725	0.308	2	110.1680	0.999	41	109.7802	2.743	125	109.7709	2.614	134
474	622	976	6:SP3_SP2_SP3	C[5,6,6]	O[6]	O[5,6]	4:2:4:2:	4:3:	4:4:	C[3,5,6]-4:O[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6,6]-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])	O[6](C[5,6,6]C[3,5,6]O[5,6]C[6])(C[6]C[6,6]O)	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H)	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>}	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>}	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	2:2:3:4:	3:4:	4:4:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)	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>}	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>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C){1|O<1>,2|C<3>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	2:2:4:3:	3:4:	4:4:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	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>}	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>}	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){2|F<1>,3|C<3>}	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	2:3:2:4:	4:3:	4:4:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H)	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>}	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>}	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H){1|H<1>,6|C<3>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:1:	4:3:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	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>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	109.7737	0.272	6	109.7737	0.074	6	109.7737	0.074	6	109.7737	0.074	6	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	3:2:2:1:	4:3:	4:4:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	O[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H)	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>}	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>}	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H){4|C<3>}	109.2590	0.151	2	109.2590	0.023	2	109.2590	0.023	2	109.2590	0.023	2	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	3:3:2:2:	4:3:	4:4:	C[5,6a]-3:C[5a]-3:O[5,6]-2:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6]-4:	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])	O[6](C[5,6]C[5,6a]O[5,6]C[5a])(C[6,6a]C[6,6a]C[6a])	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6])	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>}	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>}	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6]){2|N<2>,6|C<3>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP2_SP3	C[5,6]	O[6]	O[5,6]	4:2:2:4:	3:4:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	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>}	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>}	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){1|H<1>,1|S<4>,3|C<3>}	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.9192	0.487	13	109.8906	0.461	14
474	622	976	6:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5,6]	4:2:2:1:	4:4:	4:4:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	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)	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H)	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>}	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>}	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	108.9013	0.846	6	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5,6]	4:2:2:4:	4:4:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|Cl<1>,1|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	108.7040	0.000	1	108.5342	0.047	5	108.5342	0.047	5	108.5342	0.047	5	108.9013	0.846	6	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5,6]	4:2:2:4:	4:4:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|H<1>,3|C<4>}	108.4073	0.180	3	108.5342	0.047	5	108.5342	0.047	5	108.5342	0.047	5	108.9013	0.846	6	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6,6]	O[6,6]	O[5,6]	4:2:2:4:	4:4:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){2|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	108.7450	0.000	1	108.5342	0.047	5	108.5342	0.047	5	108.5342	0.047	5	108.9013	0.846	6	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:1:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO){1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	109.4673	0.683	3	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:1:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH){1|H<1>,2|O<2>,3|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H){2|C<4>,2|H<1>,3|O<2>}	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.4673	0.683	3	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:1:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H)	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H){4|H<1>,5|C<4>}	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H){1|O<1>,4|C<4>,4|H<1>}	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	109.4673	0.683	3	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:2:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC){2|C<4>,4|H<1>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH){2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,6|H<1>}	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:4:	4:2:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:O[6]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	O[6](C[5,6]O[5,6]C[5]C)(O[6]C[6])	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	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[5,6]O[5,6]C[5]C)(O[6]C[6]){2|H<1>,4|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,4|H<1>}	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:4:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H)	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,5|H<1>}	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	109.0498	0.040	4	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:4:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,1|O<2>,5|H<1>}	108.9210	0.000	1	108.9210	0.000	1	109.1190	0.031	3	109.0498	0.040	4	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:4:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,4|H<1>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH){3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){2|C<4>,5|H<1>}	109.2620	0.000	1	109.2620	0.000	1	109.1190	0.031	3	109.0498	0.040	4	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	2:4:2:4:	4:4:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,3|H<1>}	109.1740	0.000	1	109.1740	0.000	1	109.1190	0.031	3	109.0498	0.040	4	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[5,6]-4:	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H)	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H)	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H){1|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H){1|C<3>,4|C<4>,5|H<1>}	109.3528	0.181	4	109.3528	0.033	4	109.3528	0.033	4	109.2548	0.073	5	109.2102	0.319	14	109.1176	0.462	20
474	622	976	6:SP3_SP3_SP3	C[5,6]	O[6]	O[5,6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO)	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H)	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO){1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	109.2548	0.073	5	109.2102	0.319	14	109.1176	0.462	20
474	622	983	0:SP3_SP1_SP3	C[5,6]	O[6]	C	2:4:2:2:	4:4:	4:2:	O[5,6]-2:C[5]-4:O[6]-2:C-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C-2:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)	C(C[5,6]O[5,6]C[5]O[6])(CC[6a])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC){2|C<4>,4|H<1>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH){2|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(CC[6a])	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1
474	643	643	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6a]	3:4:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,2|H<1>,5|C<4>,6|C<3>}	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	110.9300	0.000	1	111.3585	0.367	2	111.3585	0.367	2	112.0304	0.847	8	112.0304	0.847	8	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6a]	3:4:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,3|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	111.7870	0.000	1	111.3585	0.367	2	111.3585	0.367	2	112.0304	0.847	8	112.0304	0.847	8	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6a]	3:4:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	112.0885	1.746	2	112.0885	3.048	2	112.2543	0.871	6	112.0304	0.847	8	112.0304	0.847	8	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6a]	3:4:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	112.3372	0.639	4	112.3372	0.409	4	112.2543	0.871	6	112.0304	0.847	8	112.0304	0.847	8	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	P[3,5,5]-3:P[4x5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2{2|P<3>,4|C<3>,4|H<1>}	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|P<3>}	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|P<3>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.9988	5.714	4	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[3x5,6]-4:C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	111.5180	2.042	2	111.5180	4.170	2	111.5180	4.170	2	110.0493	8.556	3	109.9988	5.714	4	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2{12|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	110.0493	8.556	3	109.9988	5.714	4	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:2:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	115.0410	0.000	1	115.0410	0.000	1	115.2260	0.068	2	115.2260	0.068	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:2:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	115.4110	0.000	1	115.4110	0.000	1	115.2260	0.068	2	115.2260	0.068	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]N[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[6,6a]N[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	110.2170	0.305	2	110.2170	0.093	2	110.2170	0.093	2	110.2170	0.093	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.5680	0.000	1	111.5680	0.000	1	112.2880	1.037	2	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	113.0080	0.000	1	113.0080	0.000	1	112.2880	1.037	2	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	113.8170	0.000	1	113.8170	0.000	1	113.8170	0.000	1	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]N[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[6,6a]N[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	111.7780	2.594	7	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	110.7423	0.313	3	110.7423	0.098	3	110.7423	0.098	3	109.7473	4.026	4	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	109.7473	4.026	4	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:4:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	108.1360	0.355	2	107.8770	0.264	3	107.8770	0.264	3	107.8770	0.264	3	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:4:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	107.3590	0.000	1	107.8770	0.264	3	107.8770	0.264	3	107.8770	0.264	3	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:4:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,7|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	111.8040	0.000	1	111.8040	0.000	1	111.8435	0.003	2	111.8435	0.003	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	3:4:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,5|C<3>,5|H<1>}	111.8830	0.000	1	111.8830	0.000	1	111.8435	0.003	2	111.8435	0.003	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	109.0300	0.000	1	110.6825	5.462	2	110.6825	5.462	2	110.6825	5.462	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	112.3350	0.000	1	110.6825	5.462	2	110.6825	5.462	2	110.6825	5.462	2	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){12|C<3>,4|H<1>}	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,6|C<3>}	110.6240	2.049	2	110.6240	4.199	2	110.1427	2.795	3	110.1427	2.795	3	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](B[5,6]N[6,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){11|C<3>,1|N<2>,4|H<1>}	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5,6]C[6,6a]B[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,6|C<3>}	109.1800	0.000	1	109.1800	0.000	1	110.1427	2.795	3	110.1427	2.795	3	111.1631	5.965	28	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5])2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5])2{5|C<3>,5|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.5020	0.677	3	111.5020	0.458	3	111.5020	0.458	3	111.7159	2.190	10	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	112.0930	0.534	3	112.0930	0.285	3	111.8076	3.100	7	111.7159	2.190	10	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	112.7390	0.963	3	111.5935	5.867	4	111.8076	3.100	7	111.7159	2.190	10	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	108.1570	0.000	1	111.5935	5.867	4	111.8076	3.100	7	111.7159	2.190	10	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	114.6510	0.000	1	114.6510	0.000	1	113.3006	1.632	7	113.3006	1.632	7	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O){3|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.0755	1.238	6	113.0755	1.533	6	113.3006	1.632	7	113.3006	1.632	7	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H)	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	112.5700	1.288	2	112.5700	1.660	2	112.5700	1.660	2	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	112.7105	0.131	2	112.7105	0.017	2	112.7105	0.017	2	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	113.8400	0.919	6	114.0184	1.051	11	114.0184	1.051	11	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,6|C<3>}	114.7510	0.000	1	114.0184	1.051	11	114.0184	1.051	11	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	114.1028	1.358	4	114.0184	1.051	11	114.0184	1.051	11	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5]){1|S<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	114.3540	0.000	1	114.3540	0.000	1	114.3540	0.000	1	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	112.9650	0.000	1	112.9650	0.000	1	113.9600	1.980	2	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	114.9550	0.000	1	114.9550	0.000	1	113.9600	1.980	2	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){2|O<2>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	109.9000	0.000	1	109.8695	0.002	2	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){4|H<1>,7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	109.8390	0.000	1	109.8695	0.002	2	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|C<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	110.1410	0.000	1	110.6700	0.560	2	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	111.1990	0.000	1	110.6700	0.560	2	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5]){5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	112.4500	0.000	1	112.4500	0.000	1	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.0270	0.000	1	112.7085	0.203	2	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.3900	0.000	1	112.7085	0.203	2	111.2780	1.823	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	112.3795	0.600	2	112.3795	0.360	2	113.5146	3.673	9	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	112.4320	0.588	2	112.4320	0.346	2	113.5146	3.673	9	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|P<4>,2|H<1>,4|C<3>}	112.5840	0.000	1	112.5840	0.000	1	113.5146	3.673	9	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	115.9933	0.292	3	115.9933	0.085	3	113.5146	3.673	9	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	111.4440	0.000	1	111.4440	0.000	1	113.5146	3.673	9	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.8340	0.573	7	109.8340	0.329	7	109.8340	0.329	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	113.6775	1.041	4	113.6775	1.083	4	113.2236	1.282	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5]){4|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	111.9725	0.131	2	111.9725	0.017	2	113.2236	1.282	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.9100	0.000	1	113.9100	0.000	1	113.2236	1.282	7	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	112.4986	4.351	51	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2{4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	117.1950	0.000	1	116.4255	1.184	2	116.4255	1.184	2	116.4255	1.184	2	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	115.6560	0.000	1	116.4255	1.184	2	116.4255	1.184	2	116.4255	1.184	2	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:2:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2{1|N<2>,8|C<3>}	112.1400	0.000	1	112.1400	0.000	1	112.4375	0.177	2	112.4375	0.177	2	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:2:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2{1|N<2>,8|C<3>}	112.7350	0.000	1	112.7350	0.000	1	112.4375	0.177	2	112.4375	0.177	2	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[5,6]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	111.7730	0.054	2	111.7730	0.003	2	111.7730	0.003	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,5|C<3>}	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,5|C<3>}	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	111.2400	0.000	1	111.2400	0.000	1	111.2645	1.077	6	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{2|S<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	111.1615	1.311	4	111.1615	1.718	4	111.2645	1.077	6	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	111.7010	0.000	1	111.7010	0.000	1	111.2645	1.077	6	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C){1|S<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	111.8680	0.000	1	111.8680	0.000	1	113.2585	3.867	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	114.6490	0.000	1	114.6490	0.000	1	113.2585	3.867	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	115.3880	0.000	1	115.3880	0.000	1	115.3880	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|Se<2>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	110.8600	0.000	1	110.8600	0.000	1	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	112.5750	0.000	1	112.5750	0.000	1	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,6|C<3>}	113.9290	0.000	1	113.9290	0.000	1	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,8|C<3>}	114.2975	1.269	2	114.2975	1.611	2	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	122.2530	0.000	1	116.5055	13.886	6	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	116.1183	2.461	4	116.5055	13.886	6	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	112.3070	0.000	1	116.5055	13.886	6	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,6|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.4520	0.000	1	113.4520	0.000	1	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.6070	0.000	1	112.4077	1.647	35	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.5320	0.000	1	112.4077	1.647	35	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.6690	0.000	1	112.4077	1.647	35	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,7|C<3>}	113.1370	0.000	1	112.4077	1.647	35	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.3008	1.294	31	112.4077	1.647	35	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.5820	0.000	1	113.5820	0.000	1	113.0478	4.734	48	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.7050	0.000	1	113.7050	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H){5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	112.9490	0.000	1	112.9490	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.2670	0.000	1	112.2670	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,6|C<3>}	114.8613	0.717	3	114.8613	0.514	3	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	113.7230	0.000	1	113.7230	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	114.3660	0.000	1	114.3660	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	113.4460	0.000	1	112.4893	1.357	3	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	112.0110	1.158	2	112.4893	1.357	3	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	113.0505	0.156	2	113.3810	1.066	8	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	113.5053	1.521	4	113.3810	1.066	8	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	113.4630	0.457	2	113.3810	1.066	8	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,3|O<2>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	115.3790	0.000	1	115.3790	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	112.1230	0.000	1	112.1230	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H){1|Ru<6>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<3>,3|H<1>,5|C<3>}	110.1950	0.000	1	110.1950	0.000	1	113.3549	1.833	22	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	113.4365	1.627	2	113.4365	2.647	2	113.4365	2.647	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cu<3>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.2810	0.000	1	112.2810	0.000	1	113.1025	1.350	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	113.9240	0.000	1	113.9240	0.000	1	113.1025	1.350	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|H<1>,2|O<1>,6|C<3>}	115.5335	0.763	4	115.3284	0.647	5	115.3284	0.647	5	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|H<1>,2|O<1>,5|C<3>}	114.5080	0.000	1	115.3284	0.647	5	115.3284	0.647	5	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:B[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S)	C[6a](C[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(B[5]C[5]S){5|H<1>,8|C<3>}	C[6a](C[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,5|C<3>}	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Os<6>,5|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|H<1>,4|C<3>}	112.7025	0.456	2	112.7025	0.208	2	112.7025	0.208	2	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N){4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|H<1>,4|C<3>}	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]N)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]N)(N[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|H<1>,4|C<3>}	113.8470	0.000	1	113.8470	0.000	1	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	116.2480	0.000	1	116.2480	0.000	1	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.7408	0.830	8	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	113.2680	0.000	1	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Co<6>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.2973	2.020	4	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Cu<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	114.0424	1.460	7	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Cu<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	111.1090	0.103	3	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|N<2>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.5217	2.032	3	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.0690	0.433	2	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Ni<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	111.1100	0.000	1	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.9100	0.000	1	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|S<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,3|H<1>,4|C<3>}	112.9660	0.000	1	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|S<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	114.4520	0.000	1	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|Zn<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	113.7750	0.453	2	112.7264	2.475	34	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	112.7200	0.000	1	112.7200	0.000	1	112.8517	2.632	37	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5]Si)(C[5]N[5]O)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]C[5]Si)(C[5]N[5]O){1|Si<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	114.8180	0.000	1	114.8180	0.000	1	114.8180	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]N[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]N[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Re<6>,1|N<2>,4|H<1>,6|C<3>}	C[6a](C[5]N[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	113.0030	0.000	1	113.0030	0.000	1	113.0030	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{10|C<3>,1|O<1>,4|H<1>}	C[6a](C[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,5|C<3>}	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[5]N[5,5a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]N[5,5a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]N[5,5a]C[5,5]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5,5]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,5|C<3>}	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N)	C[6a](C[5]N[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]N[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N){4|H<1>,6|C<3>}	C[6a](C[5]N[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5]N[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<2>,4|C<3>}	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pd)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pd){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|H<1>,5|C<3>}	114.2490	0.000	1	114.2490	0.000	1	114.6447	0.927	3	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|H<1>,5|C<3>}	113.9430	0.000	1	114.8425	1.618	2	114.6447	0.927	3	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt)	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|H<1>,5|C<3>}	115.7420	0.000	1	114.8425	1.618	2	114.6447	0.927	3	113.1421	3.385	146	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH){6|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC){6|C<3>,7|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	113.8180	0.000	1	113.8180	0.000	1	112.2749	3.253	8	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	111.3765	0.674	2	112.0544	3.341	7	112.2749	3.253	8	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	111.7950	0.000	1	112.0544	3.341	7	112.2749	3.253	8	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|Cl<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	113.3175	1.537	2	112.0544	3.341	7	112.2749	3.253	8	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	111.5990	3.555	2	112.0544	3.341	7	112.2749	3.253	8	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	111.1370	2.100	2	111.1370	4.410	2	111.1370	4.410	2	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH){5|H<1>,7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|H<1>,5|C<3>}	111.9450	0.470	2	111.9450	0.220	2	112.4597	0.905	3	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH){4|H<1>,7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,4|H<1>,5|C<3>}	113.4890	0.000	1	113.4890	0.000	1	112.4597	0.905	3	112.1144	2.431	14	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5]){6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|P<4>,3|C<3>,3|H<1>}	110.3370	0.000	1	110.3370	0.000	1	110.3725	0.563	4	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){5|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	110.7680	0.897	2	110.7680	0.804	2	110.3725	0.563	4	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5]){1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	109.6170	0.000	1	109.6170	0.000	1	110.3725	0.563	4	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	111.2640	0.000	1	111.1193	0.346	3	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	110.4720	0.000	1	111.1193	0.346	3	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	111.6220	0.000	1	111.1193	0.346	3	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	109.5375	0.084	2	109.3413	0.163	4	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	108.7410	0.000	1	109.3413	0.163	4	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){5|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	109.5490	0.000	1	109.3413	0.163	4	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.8860	0.000	1	110.8860	0.000	1	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.8740	1.817	2	110.8740	3.302	2	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	111.7415	1.389	2	111.7415	1.931	2	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5]){1|Ir<8>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.4110	0.000	1	109.4110	0.000	1	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	111.4350	1.076	2	112.0093	1.569	3	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.1580	0.000	1	112.0093	1.569	3	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.5576	1.069	5	110.3952	1.195	12	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	109.1370	0.000	1	110.3952	1.195	12	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.4695	1.169	6	110.3952	1.195	12	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	113.3328	0.961	4	113.3328	0.923	4	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5]){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|S<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|S<3>,3|C<3>,4|H<1>}	113.1030	0.000	1	113.1030	0.000	1	111.0138	2.307	33	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5])	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	110.8793	2.137	39	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	111.9550	0.000	1	111.9550	0.000	1	111.6046	2.270	8	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.1790	0.599	3	113.1790	0.359	3	111.6046	2.270	8	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){4|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	110.3865	0.084	2	110.0987	0.252	3	111.6046	2.270	8	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	109.5230	0.000	1	110.0987	0.252	3	111.6046	2.270	8	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	111.0490	0.000	1	111.0490	0.000	1	111.6046	2.270	8	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H){6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	108.1265	1.005	2	108.1265	1.010	2	109.1503	3.650	3	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H){2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,3|C<3>,5|H<1>}	111.1980	0.000	1	111.1980	0.000	1	109.1503	3.650	3	110.9353	3.633	11	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	107.0660	0.000	1	107.0660	0.000	1	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<2>,5|C<3>,5|H<1>}	109.2830	0.000	1	109.2830	0.000	1	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.8015	1.562	2	109.2858	0.728	6	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.0830	0.457	2	109.2858	0.728	6	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<8>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,6|H<1>}	108.6710	0.000	1	109.2858	0.728	6	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.2750	0.000	1	109.2858	0.728	6	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|N<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	108.4410	0.000	1	108.4410	0.000	1	108.9450	1.030	9	108.9450	1.030	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:4:3:2:	3:4:3:	4:3:3:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	111.8750	0.000	1	110.5080	3.239	3	110.5080	3.239	3	110.5080	3.239	3	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	109.8245	1.917	2	110.5080	3.239	3	110.5080	3.239	3	110.5080	3.239	3	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|C<3>,8|H<1>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	111.9630	0.000	1	111.9630	0.000	1	113.0670	2.438	2	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a]){1|N<2>,5|C<3>,8|H<1>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	114.1710	0.000	1	114.1710	0.000	1	113.0670	2.438	2	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|B<4>,1|N<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	109.5010	0.000	1	109.3810	0.029	2	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|N<4>,1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	109.2610	0.000	1	109.3810	0.029	2	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<4>,2|C<4>,3|C<3>,3|H<1>}	108.5710	0.000	1	108.4733	0.008	3	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.4245	0.039	2	108.4733	0.008	3	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Cu<3>,1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	109.4195	1.756	2	110.8713	1.193	22	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Ni<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	109.8200	0.000	1	110.8713	1.193	22	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	111.1233	0.911	9	110.8713	1.193	22	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	110.2760	0.528	4	110.8713	1.193	22	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	111.5492	0.941	6	110.8713	1.193	22	110.4944	1.652	27	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	110.8710	0.000	1	110.8710	0.000	1	110.8645	0.000	2	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.8580	0.000	1	110.8580	0.000	1	110.8645	0.000	2	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6]){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.2650	0.018	2	113.2650	0.000	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	114.0010	0.000	1	112.3125	5.702	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	110.6240	0.000	1	112.3125	5.702	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	114.1710	0.460	2	114.1710	0.211	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<9>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<9>,2|C<4>,2|H<1>,4|C<3>}	109.7970	0.000	1	109.5920	0.084	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5]){1|Ru<5>,1|Ru<7>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<7>,1|C<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<7>,1|C<5>,2|C<4>,2|H<1>,3|C<3>}	109.3870	0.000	1	109.5920	0.084	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|H<1>,5|C<3>}	110.6260	3.824	2	110.6260	14.623	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Cl<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,5|C<3>}	110.4685	4.136	2	110.5417	7.736	6	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Rh<5>,1|O<2>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,5|C<3>}	110.5782	2.681	4	110.5417	7.736	6	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	111.2360	0.000	1	111.2360	0.000	1	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	110.4145	1.101	2	111.5093	4.202	3	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	113.6990	0.000	1	111.5093	4.202	3	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	109.7750	0.288	2	111.1800	2.822	4	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	112.5850	0.699	2	111.1800	2.822	4	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Ni<4>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	112.5265	0.919	2	112.5265	0.844	2	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|N<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|N<4>,3|C<3>,4|H<1>}	112.7340	2.444	3	112.7340	5.972	3	111.5488	4.690	30	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	111.2355	0.593	2	111.2355	0.352	2	111.2355	0.352	2	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.2735	0.235	2	112.2735	0.055	2	112.2735	0.055	2	111.1225	3.251	66	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[3x5,6]-4:N[5,5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,7|C<3>,7|H<1>}	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,8|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	111.8330	0.000	1	111.8330	0.000	1	111.6600	0.060	2	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	111.4870	0.000	1	111.4870	0.000	1	111.6600	0.060	2	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|Pd<5>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|Pd<5>,2|C<4>,2|H<1>,5|C<3>}	115.7160	0.000	1	115.7160	0.000	1	112.1247	9.919	3	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,3|H<1>,6|C<3>}	110.3290	0.701	2	110.3290	0.492	2	112.1247	9.919	3	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H){2|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	108.9715	0.095	2	108.9715	0.009	2	108.9715	0.009	2	110.9268	4.222	9	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	109.1772	2.318	5	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	107.6980	0.375	2	107.6980	0.140	2	107.6980	0.140	2	109.1772	2.318	5	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	109.1772	2.318	5	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,8|C<3>}	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1772	2.318	5	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	105.4510	0.000	1	105.4510	0.000	1	105.4510	0.000	1	108.9413	2.238	12	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	108.2035	0.967	2	108.2035	0.934	2	109.2585	1.133	11	108.9413	2.238	12	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.3795	1.003	2	109.4930	0.960	9	109.2585	1.133	11	108.9413	2.238	12	112.0148	4.652	390	111.9408	4.727	430
474	643	643	0:SP3_SP2_SP2	C[5]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.5254	1.052	7	109.4930	0.960	9	109.2585	1.133	11	108.9413	2.238	12	112.0148	4.652	390	111.9408	4.727	430
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	105.2110	0.979	9	105.2110	0.958	9	105.6139	0.935	17	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	105.4810	0.000	1	106.0673	0.599	8	105.6139	0.935	17	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	105.5120	0.758	2	106.0673	0.599	8	105.6139	0.935	17	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	106.2025	1.218	2	106.0673	0.599	8	105.6139	0.935	17	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	106.8105	0.177	2	106.0673	0.599	8	105.6139	0.935	17	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:S[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]N[6,6]C[5])(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	106.0070	0.000	1	106.0673	0.599	8	105.6139	0.935	17	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	106.3360	0.000	1	106.3360	0.000	1	106.3360	0.000	1	105.6541	0.909	18	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	104.9540	0.000	1	104.9935	0.003	2	104.9935	0.003	2	105.3633	0.412	3	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]O[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	105.0330	0.000	1	104.9935	0.003	2	104.9935	0.003	2	105.3633	0.412	3	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	105.3633	0.412	3	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,4|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,4|H<1>,5|C<3>}	104.2570	0.000	1	104.2570	0.000	1	104.2570	0.000	1	106.2205	7.711	2	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[5,6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH)	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	106.2205	7.711	2	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	108.0760	0.000	1	107.9970	0.012	2	107.9970	0.012	2	107.9970	0.012	2	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	107.9180	0.000	1	107.9970	0.012	2	107.9970	0.012	2	107.9970	0.012	2	105.8519	1.454	25	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	109.7020	0.000	1	109.7020	0.000	1	109.7020	0.000	1	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	111.4460	0.000	1	111.4460	0.000	1	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	110.4790	0.000	1	110.4790	0.000	1	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.0880	0.000	1	112.0880	0.000	1	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	114.0510	0.000	1	114.0510	0.000	1	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	114.4040	0.000	1	114.4040	0.000	1	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	110.6930	0.204	2	110.6930	0.041	2	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,6|C<3>}	110.6795	0.479	4	110.6795	0.229	4	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.0371	0.114	7	111.0078	0.032	10	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	110.9393	0.312	3	111.0078	0.032	10	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	112.2285	0.025	2	112.2285	0.001	2	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	111.3553	0.542	3	111.1971	0.211	18	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.0870	0.000	1	111.1971	0.211	18	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.6490	0.488	2	111.1971	0.211	18	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.2188	0.353	10	111.1971	0.211	18	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.4540	0.208	2	111.1971	0.211	18	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|Si<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	118.0832	2.824	4	118.0832	7.973	4	111.8886	5.013	45	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){7|C<3>}	109.3590	0.000	1	109.3590	0.000	1	109.8427	0.080	6	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	110.1640	0.000	1	109.9394	0.030	5	109.8427	0.080	6	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	109.8470	0.000	2	109.9394	0.030	5	109.8427	0.080	6	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	110.0830	0.000	1	109.9394	0.030	5	109.8427	0.080	6	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|O<2>,1|S<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	109.7560	0.000	1	109.9394	0.030	5	109.8427	0.080	6	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.1517	0.107	3	112.1517	0.012	3	112.1517	0.012	3	111.6064	4.567	56	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	110.0530	0.799	4	110.1318	0.510	5	110.1318	0.510	5	110.1318	0.510	5	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	110.4470	0.000	1	110.1318	0.510	5	110.1318	0.510	5	110.1318	0.510	5	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	113.0010	0.366	2	113.0010	0.134	2	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,8|C<3>}	109.9140	0.000	1	109.9140	0.000	1	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	113.5580	0.000	1	113.5580	0.000	1	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	110.7970	0.000	1	110.7673	1.113	6	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	111.5200	0.052	2	110.7673	1.113	6	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	109.5890	0.000	1	110.7673	1.113	6	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	110.5890	1.725	2	110.7673	1.113	6	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.2760	0.000	1	110.2760	0.000	1	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	109.7590	1.076	2	109.7273	0.451	10	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.4820	0.000	1	109.7273	0.451	10	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.6104	0.610	7	109.7273	0.451	10	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	112.9900	0.000	1	114.9630	3.180	9	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.2560	0.000	1	114.9630	3.180	9	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.2610	2.022	2	114.9630	3.180	9	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	116.1798	0.969	5	114.9630	3.180	9	111.8765	6.423	30	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	112.0300	0.000	1	112.0300	0.000	1	108.8656	3.240	5	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,1|O<1>,6|C<3>}	108.0745	0.385	4	108.0745	0.148	4	108.8656	3.240	5	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	109.8773	0.398	14	109.9519	0.154	25	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	110.0468	0.383	11	109.9519	0.154	25	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	110.5915	0.121	2	110.5915	0.015	2	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	110.3553	0.454	10	110.2961	0.346	33	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	110.5280	0.000	1	110.2961	0.346	33	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	110.3080	0.000	1	110.2961	0.346	33	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	110.2173	0.683	16	110.2961	0.346	33	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	110.3814	0.706	5	110.2961	0.346	33	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.5413	0.201	4	110.5413	0.041	4	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.6850	0.369	5	110.4935	0.124	10	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.3020	0.224	5	110.4935	0.124	10	110.2277	0.266	74	110.6190	2.711	109	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,4|H<1>,5|C<3>}	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	108.5785	0.298	2	108.5785	0.089	2	108.5785	0.089	2	109.3650	1.900	3	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	109.3650	1.900	3	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	108.4345	0.991	2	108.4345	0.981	2	108.4345	0.981	2	108.4345	0.981	2	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	107.5480	0.000	1	107.5480	0.000	1	107.3205	0.104	2	107.3205	0.104	2	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	107.0930	0.000	1	107.0930	0.000	1	107.3205	0.104	2	107.3205	0.104	2	110.8478	3.592	181	110.2415	5.998	206
474	643	643	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH)	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	111.3905	0.702	2	111.3905	0.493	2	111.3905	0.493	2	111.3905	0.493	2	110.8478	3.592	181	110.2415	5.998	206
474	643	722	0:SP3_SP2_SPD5	C[5]	C[6a]	Si[4,5]	5:3:3:1:	4:3:3:	4:4:3:3:3:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]Si[4,5]C[5]H)(C[6a]C[6a]H)2	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]Si[4,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>,3|N<3>}	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	121.9805	2.439	2	121.9805	5.948	2	121.9805	5.948	2	121.9805	5.948	2	121.9805	5.948	2	121.9805	5.948	2
474	643	727	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:O[6,6]-2:	C[5,3x6]-4:C[3x6,6a]-3:C[6a,6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-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])	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	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>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a]){2|Si<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]O[6,6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	117.7245	23.922	2	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,3x6]	C[6,6,6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a])	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5x6]C[6,6,6a]2C[5x6])(C[5,6,6]C[6,6]Si[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	117.7245	23.922	2	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,3x6]	C[6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,9|C<3>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){12|C<3>}	108.9695	0.620	2	108.9695	0.385	2	108.9695	0.385	2	108.3050	9.302	4	108.3050	9.302	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,3x6]	C[6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|N<3>}	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	108.3050	9.302	4	108.3050	9.302	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,3x6]	C[6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|N<3>}	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	108.3050	9.302	4	108.3050	9.302	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[6,6a]	C[5,6,6a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	119.7360	0.000	1	119.7360	0.000	1	119.7360	0.000	1	119.7360	0.000	1	115.5390	35.230	2	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	115.5390	35.230	2	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,5a,6]	3:4:4:3:	4:3:3:	4:3:3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2	C[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	C[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	116.1160	1.929	2	116.1160	3.721	2	116.1160	3.721	2	116.1230	1.861	3	116.1230	1.861	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,5a,6]	3:4:4:3:	4:3:3:	4:3:3:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	C[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	116.1370	0.000	1	116.1370	0.000	1	116.1370	0.000	1	116.1230	1.861	3	116.1230	1.861	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:2:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.5677	2.552	3	119.8934	6.652	7	120.4455	8.140	8	120.4455	8.140	8	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:2:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	117.4600	0.000	1	119.8934	6.652	7	120.4455	8.140	8	120.4455	8.140	8	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:2:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.3925	2.900	2	119.8934	6.652	7	120.4455	8.140	8	120.4455	8.140	8	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:2:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	117.3060	0.000	1	119.8934	6.652	7	120.4455	8.140	8	120.4455	8.140	8	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:2:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	124.3100	0.000	1	124.3100	0.000	1	120.4455	8.140	8	120.4455	8.140	8	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.4930	2.450	3	118.4930	6.001	3	118.4930	6.001	3	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,6a]C[5,6a]C[5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	118.5380	0.787	3	118.5380	0.619	3	118.5380	0.619	3	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	120.8397	0.244	3	120.8397	0.059	3	120.8397	0.059	3	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.8690	0.491	2	120.8690	0.241	2	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.4698	0.273	5	121.4698	0.074	5	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	118.3715	1.289	2	118.3715	1.662	2	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.8440	0.000	1	118.5232	7.349	5	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	118.1360	0.000	1	118.5232	7.349	5	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	117.2120	1.646	3	118.5232	7.349	5	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	117.8700	0.000	1	117.8700	0.000	1	119.7544	4.554	15	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a,6a]-3:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	121.2045	0.916	2	121.2045	0.839	2	121.2045	0.839	2	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	119.7016	3.648	27	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2C[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2C[5,5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,9|C<3>}	120.4625	0.344	2	120.4625	0.119	2	120.4625	0.119	2	121.9587	3.031	4	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2C[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2C[5,5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	123.4550	0.144	2	123.4550	0.021	2	123.4550	0.021	2	121.9587	3.031	4	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	121.4950	0.000	1	121.4950	0.000	1	119.8282	1.718	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	118.5360	0.000	1	119.4245	1.579	2	119.8282	1.718	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	120.3130	0.000	1	119.4245	1.579	2	119.8282	1.718	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.9160	0.000	1	119.5417	1.831	3	119.8282	1.718	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.2110	0.000	1	119.5417	1.831	3	119.8282	1.718	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.4980	0.000	1	119.5417	1.831	3	119.8282	1.718	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	117.4747	0.913	6	117.4747	0.834	6	117.4747	0.834	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	118.6503	0.724	3	118.6503	0.525	3	119.4115	1.091	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.4375	0.713	2	120.4375	0.509	2	119.4115	1.091	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,6|C<3>,7|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.6430	0.000	1	119.6430	0.000	1	119.4115	1.091	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	117.4130	0.000	1	117.4130	0.000	1	117.3702	1.148	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	118.4230	0.000	1	118.4230	0.000	1	117.3702	1.148	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	117.3553	1.327	3	117.3553	1.761	3	117.3702	1.148	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|W<6>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	116.3190	0.000	1	116.3190	0.000	1	117.3702	1.148	6	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:P[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]O[5,5]P[5,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2){5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]O[5,5]P[5,6])(C[6a]C[6a]H)2{1|Cl<1>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|W<6>,2|H<1>,4|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	118.4480	2.362	25	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	120.1544	1.155	8	120.1544	1.334	8	120.0601	0.995	38	120.0088	1.075	40	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	120.0349	0.972	30	120.0349	0.944	30	120.0601	0.995	38	120.0088	1.075	40	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.0088	1.075	40	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	117.7840	0.000	1	117.7840	0.000	1	117.7840	0.000	1	120.0088	1.075	40	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	119.0665	1.225	2	119.0665	1.502	2	119.0665	1.502	2	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	118.0717	1.238	6	118.0717	1.532	6	118.0629	1.820	10	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	118.0498	1.705	4	118.0498	2.907	4	118.0629	1.820	10	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	118.2175	0.913	2	118.2175	0.833	2	117.2166	2.819	16	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.1070	0.184	2	117.0736	3.013	14	117.2166	2.819	16	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.7438	2.113	4	117.0736	3.013	14	117.2166	2.819	16	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.4802	1.189	8	117.0736	3.013	14	117.2166	2.819	16	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	119.0640	0.000	1	119.0640	0.000	1	118.5713	0.437	3	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.8300	0.000	1	118.8300	0.000	1	118.5713	0.437	3	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	C[5,6,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2){1|Mo<6>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H){1|Mo<6>,1|C<4>,3|H<1>,4|C<3>}	117.8200	0.000	1	117.8200	0.000	1	118.5713	0.437	3	117.7401	2.402	31	119.2172	3.620	138	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,7|C<3>}	112.9027	0.955	3	112.9027	0.912	3	114.2434	2.475	13	114.2434	2.475	13	114.2434	2.475	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,7|C<3>}	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,7|C<3>}	115.5587	0.444	7	115.5587	0.197	7	114.2434	2.475	13	114.2434	2.475	13	114.2434	2.475	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,7|C<3>}	112.5150	0.336	3	112.5150	0.113	3	114.2434	2.475	13	114.2434	2.475	13	114.2434	2.475	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|N<3>,6|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|O<2>,1|S<4>,2|C<4>,2|H<1>,6|C<3>}	115.0920	0.000	1	115.0920	0.000	1	113.5105	5.002	2	113.5105	5.002	2	114.2987	3.915	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|N<3>,6|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|H<1>,6|C<3>}	111.9290	0.000	1	111.9290	0.000	1	113.5105	5.002	2	113.5105	5.002	2	114.2987	3.915	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	115.0870	4.257	2	114.2987	3.915	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,5a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,4|C<3>,4|H<1>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	115.0870	4.257	2	114.2987	3.915	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])	C[6a](C[5,5]C[5,6a]N[5,5]O[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5]){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]N[5,5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.9540	2.243	6	107.9540	5.033	6	108.0631	2.946	26	108.3133	4.523	27	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.6972	1.285	14	107.6972	1.651	14	108.0631	2.946	26	108.3133	4.523	27	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.0260	1.975	6	109.0260	3.902	6	108.0631	2.946	26	108.3133	4.523	27	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){2|O<1>,4|C<3>,6|H<1>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	114.8180	0.000	1	114.8180	0.000	1	114.8180	0.000	1	108.3133	4.523	27	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	113.0456	1.368	23	113.0456	1.870	23	113.0456	1.870	23	113.0456	1.870	23	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:2:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	114.4031	5.568	7	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	115.7580	0.000	1	116.4205	0.878	2	115.9697	1.049	3	114.4031	5.568	7	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	117.0830	0.000	1	116.4205	0.878	2	115.9697	1.049	3	114.4031	5.568	7	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	115.0680	0.000	1	115.0680	0.000	1	115.9697	1.049	3	114.4031	5.568	7	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	112.2520	0.000	1	112.2520	0.000	1	112.0907	1.450	3	114.4031	5.568	7	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	112.0100	1.691	2	112.0100	2.861	2	112.0907	1.450	3	114.4031	5.568	7	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,7|H<1>}	115.5060	0.000	1	115.5060	0.000	1	112.4114	5.338	5	112.4114	5.338	5	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,7|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	112.5230	0.000	1	111.5380	1.940	2	112.4114	5.338	5	112.4114	5.338	5	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){5|H<1>,6|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	110.5530	0.000	1	111.5380	1.940	2	112.4114	5.338	5	112.4114	5.338	5	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.8140	0.000	1	109.8140	0.000	1	112.4114	5.338	5	112.4114	5.338	5	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	113.6610	0.000	1	113.6610	0.000	1	112.4114	5.338	5	112.4114	5.338	5	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,7|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	115.9005	0.537	2	115.9005	0.288	2	115.9005	0.288	2	114.1430	4.229	4	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	112.3855	0.209	2	112.3855	0.044	2	112.3855	0.044	2	114.1430	4.229	4	111.3237	9.663	69	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2{1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){5|C<3>,6|H<1>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.5453	0.176	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6])	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2{2|C<4>,2|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	108.4515	0.547	2	108.4515	0.299	2	108.4515	0.299	2	108.4515	0.299	2	108.5453	0.176	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6,6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>}	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,1|O<1>}	104.2180	0.000	1	104.2180	0.000	1	104.2180	0.000	1	104.2180	0.000	1	109.5993	28.130	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H)	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2H){2|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.5993	28.130	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	109.5993	28.130	3	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){1|C<4>,1|O<2>,9|C<3>}	111.5070	0.000	1	111.5070	0.000	1	113.2315	1.330	11	113.2315	1.330	11	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	114.3375	1.592	2	114.3375	2.534	2	113.2315	1.330	11	113.2315	1.330	11	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){1|Au<2>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	113.2797	1.017	4	113.1705	0.760	8	113.2315	1.330	11	113.2315	1.330	11	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>}	113.0613	0.840	4	113.1705	0.760	8	113.2315	1.330	11	113.2315	1.330	11	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,9|C<3>}	114.8290	0.000	1	114.8290	0.000	1	114.1456	1.943	7	114.1456	1.943	7	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>}	114.8590	1.413	2	114.8590	1.996	2	114.1456	1.943	7	114.1456	1.943	7	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	113.6180	1.534	4	113.6180	2.354	4	114.1456	1.943	7	114.1456	1.943	7	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2){10|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a]){10|C<3>,1|C<4>}	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Au)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Au)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Au<2>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>,1|Au<2>}	111.2015	0.674	2	111.2015	0.454	2	112.8552	3.196	31	112.8552	3.196	31	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,2|C<4>,9|C<3>}	113.2428	1.725	18	113.2096	2.674	20	112.8552	3.196	31	112.8552	3.196	31	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,3|C<4>,8|C<3>}	112.9115	0.226	2	113.2096	2.674	20	112.8552	3.196	31	112.8552	3.196	31	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Pd<8>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Pd<8>,2|C<4>,9|C<3>}	113.0302	1.166	8	113.0302	1.360	8	112.8552	3.196	31	112.8552	3.196	31	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2){10|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>}	107.6730	0.000	1	107.6730	0.000	1	112.8552	3.196	31	112.8552	3.196	31	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,2|C<4>,9|C<3>}	113.2773	1.721	38	113.2773	2.961	38	113.2531	2.927	50	113.2531	2.927	50	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)2{1|Pd<8>,2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,2|C<4>,9|C<3>}	113.1764	1.752	12	113.1764	3.069	12	113.2531	2.927	50	113.2531	2.927	50	113.1625	2.842	100	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H){1|H<1>,6|C<3>}	119.4480	0.000	1	119.4480	0.000	1	119.4480	0.000	1	119.4480	0.000	1	113.2193	17.887	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,5a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){1|C<4>,3|H<1>,4|C<3>}	111.6935	0.334	2	111.6935	0.112	2	111.6935	0.112	2	111.6935	0.112	2	113.2193	17.887	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,5a]C[5,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	113.2193	17.887	4	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:2:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	107.4340	0.253	2	107.4340	0.064	2	107.4340	0.064	2	107.4340	0.064	2	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:2:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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)	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	111.1150	0.000	1	111.1150	0.000	1	114.0713	5.479	7	114.0713	5.479	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	112.0290	0.000	1	112.9383	0.914	3	114.0713	5.479	7	114.0713	5.479	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	113.3930	0.767	2	112.9383	0.914	3	114.0713	5.479	7	114.0713	5.479	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	115.2800	0.164	2	116.1897	2.496	3	114.0713	5.479	7	114.0713	5.479	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	118.0090	0.000	1	116.1897	2.496	3	114.0713	5.479	7	114.0713	5.479	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	117.5700	0.000	1	117.5700	0.000	1	117.5700	0.000	1	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.1030	0.000	1	112.1030	0.000	1	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	116.8235	0.769	4	116.8235	0.591	4	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.5650	0.000	1	112.8120	0.647	3	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	112.4355	0.665	2	112.8120	0.647	3	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.7490	0.000	1	113.7490	0.000	1	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	111.4220	0.625	2	111.4220	0.391	2	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	111.8420	0.000	1	111.8420	0.000	1	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	109.9210	0.000	1	109.9210	0.000	1	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	112.8170	1.332	4	112.8170	1.774	4	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.8537	0.990	11	113.2305	1.324	14	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	114.6120	0.260	3	113.2305	1.324	14	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.9550	1.137	4	113.9550	1.292	4	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.6990	1.753	5	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	115.4810	0.000	1	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.2075	0.081	2	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	114.4690	0.486	2	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	113.8930	1.570	2	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	114.1725	1.021	30	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	112.3870	1.223	3	113.9878	1.393	45	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|Si<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	111.6014	1.752	8	111.6014	3.070	8	113.5314	2.616	88	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){7|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	111.6880	0.000	1	111.6880	0.000	1	112.7038	1.981	12	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	112.4775	0.906	2	112.7962	2.066	11	112.7038	1.981	12	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	112.3910	1.934	4	112.7962	2.066	11	112.7038	1.981	12	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.8490	1.199	2	112.7962	2.066	11	112.7038	1.981	12	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){1|O<2>,1|S<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	114.0300	1.780	2	112.7962	2.066	11	112.7038	1.981	12	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(S[5]C[5]){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.4810	0.000	1	112.7962	2.066	11	112.7038	1.981	12	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.8625	1.172	2	112.8625	1.373	2	112.8625	1.373	2	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	112.7330	0.000	2	112.7330	0.000	2	112.7330	0.000	2	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	112.3220	0.000	2	112.3220	0.000	2	112.3220	0.000	2	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.0455	0.097	2	116.5284	0.375	5	116.8267	0.720	9	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.8503	0.597	3	116.5284	0.375	5	116.8267	0.720	9	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	116.0540	0.000	1	116.0540	0.000	1	116.8267	0.720	9	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.7535	1.153	2	117.5813	0.754	3	116.8267	0.720	9	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.2370	0.000	1	117.5813	0.754	3	116.8267	0.720	9	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	110.6063	0.212	3	110.6063	0.045	3	110.6063	0.045	3	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	116.7360	1.211	3	116.7360	1.466	3	116.7360	1.466	3	113.6130	4.049	124	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	112.5393	0.785	4	112.5393	0.616	4	112.5393	0.616	4	111.1075	4.253	14	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	111.7717	2.301	4	111.7416	3.974	5	110.5348	4.663	10	111.1075	4.253	14	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	111.6210	0.000	1	111.7416	3.974	5	110.5348	4.663	10	111.1075	4.253	14	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.5695	1.857	4	109.3280	2.877	5	110.5348	4.663	10	111.1075	4.253	14	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	108.3620	0.000	1	109.3280	2.877	5	110.5348	4.663	10	111.1075	4.253	14	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	118.4080	0.000	1	118.4080	0.000	1	118.4080	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.6481	1.493	8	110.6481	2.228	8	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	111.4405	0.842	4	111.4405	0.709	4	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.7010	1.803	2	110.4240	1.899	4	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.1470	0.597	2	110.4240	1.899	4	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	110.4705	1.759	4	110.4705	3.096	4	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.4710	0.520	4	111.3189	1.585	16	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.4590	1.409	4	111.3189	1.585	16	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.1729	1.543	8	111.3189	1.585	16	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	111.2233	1.264	4	111.2233	1.598	4	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	113.7265	2.792	2	113.7265	7.797	2	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	111.4680	1.725	8	111.5174	2.336	40	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.3970	1.110	2	111.5174	2.336	40	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	111.6970	1.723	4	111.5174	2.336	40	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	111.2233	1.907	8	111.5174	2.336	40	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	111.4150	0.803	2	111.5174	2.336	40	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.7972	1.400	16	111.5174	2.336	40	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	108.8080	1.608	2	108.8080	2.586	2	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	111.2165	0.888	4	110.5486	0.922	8	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	109.8807	0.417	4	110.5486	0.922	8	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.3240	2.318	2	109.6754	3.490	24	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.2112	1.271	6	109.6754	3.490	24	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	109.3876	2.337	12	109.6754	3.490	24	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.9110	1.089	4	109.6754	3.490	24	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	110.6945	0.654	4	110.6945	0.428	4	110.8805	2.810	120	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	110.7970	0.000	1	110.7970	0.000	1	110.8900	1.330	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	110.6350	0.000	1	110.6350	0.000	1	110.8900	1.330	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	112.3860	0.000	1	112.3860	0.000	1	110.8900	1.330	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	111.4000	0.000	1	111.4000	0.000	1	110.8900	1.330	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	109.2320	0.000	1	109.2320	0.000	1	110.8900	1.330	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,8|C<3>}	116.9560	0.000	1	116.9560	0.000	1	116.9560	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.7460	0.000	1	111.7460	0.000	1	110.1748	3.121	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.4100	0.000	1	111.4100	0.000	1	110.1748	3.121	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.2780	0.566	2	109.2393	2.932	3	110.1748	3.121	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.1620	0.000	1	109.2393	2.932	3	110.1748	3.121	5	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	117.2890	0.000	1	117.2890	0.000	1	117.2890	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	109.0410	0.000	1	109.0410	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	107.5280	0.000	1	107.5280	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.1420	0.399	2	109.9490	1.034	5	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.2190	0.000	1	109.9490	1.034	5	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	110.6780	0.000	1	109.9490	1.034	5	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	110.5640	0.000	1	109.9490	1.034	5	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	113.4180	0.000	1	113.4180	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.1270	0.000	1	110.1270	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	116.9080	0.000	1	116.9080	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	114.4910	0.000	1	114.4910	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.4580	0.000	1	112.4580	0.000	1	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	113.3360	0.000	1	113.6660	0.218	2	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	113.9960	0.000	1	113.6660	0.218	2	111.5034	7.097	14	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5a]C[5]){1|N<2>,1|N<3>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.7760	1.680	2	110.7760	2.823	2	112.1966	2.125	10	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.3590	1.858	2	112.5517	1.609	8	112.1966	2.125	10	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	112.8500	1.498	4	112.5517	1.609	8	112.1966	2.125	10	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	112.1480	0.561	2	112.5517	1.609	8	112.1966	2.125	10	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	112.8962	1.954	8	112.5298	1.609	50	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.2364	0.968	20	112.5298	1.609	50	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.6632	1.218	22	112.5298	1.609	50	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	110.3945	0.202	2	110.3945	0.041	2	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	112.4724	1.437	19	112.5294	2.293	67	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	112.6720	1.452	2	112.5294	2.293	67	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	111.1940	0.000	1	112.5294	2.293	67	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	112.2488	1.577	33	112.5294	2.293	67	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	113.4791	1.250	12	112.5294	2.293	67	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	112.0263	0.989	8	112.0263	0.979	8	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	110.9760	1.751	10	111.2666	2.145	20	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	111.5571	1.129	10	111.2666	2.145	20	112.3013	2.145	147	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	111.6750	0.000	1	111.6750	0.000	1	111.6750	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a]){1|N<2>,2|H<1>,8|C<3>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.4390	0.000	1	112.4240	0.000	2	112.4240	0.000	2	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	112.4090	0.000	1	112.4240	0.000	2	112.4240	0.000	2	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	112.8546	1.697	5	112.8546	2.878	5	111.7775	4.518	10	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.7004	2.094	5	110.7004	4.386	5	111.7775	4.518	10	111.7009	3.455	320	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	113.3827	0.821	6	113.3827	0.675	6	113.3056	0.604	7	113.3056	0.604	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])(C[6]C[6]CH){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,6|C<3>}	112.8430	0.000	1	112.8430	0.000	1	113.3056	0.604	7	113.3056	0.604	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3170	0.000	1	121.6619	0.529	7	121.6619	0.529	7	120.9821	4.150	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.8173	0.928	4	121.6619	0.529	7	121.6619	0.529	7	120.9821	4.150	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.5235	0.581	2	121.6619	0.529	7	121.6619	0.529	7	120.9821	4.150	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	120.9821	4.150	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	110.8800	0.045	2	110.8800	0.002	2	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.4870	0.000	1	112.4870	0.000	1	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	111.6120	0.000	1	111.6120	0.000	1	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	114.3910	0.000	2	114.3910	0.000	2	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.9350	0.000	2	112.3310	5.846	3	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	115.1230	0.000	1	112.3310	5.846	3	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	112.0010	0.000	1	112.0010	0.000	1	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	115.6960	0.000	2	115.6960	0.000	2	112.9189	3.958	12	112.9189	3.958	12	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	112.7460	1.465	2	112.7460	2.147	2	112.7460	2.147	2	112.7460	2.147	2	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	110.3765	0.322	2	110.3765	0.104	2	110.3765	0.104	2	110.6060	0.210	3	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	110.6060	0.210	3	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	107.9960	0.000	1	108.1470	0.044	3	108.1470	0.044	3	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	108.2225	0.230	2	108.1470	0.044	3	108.1470	0.044	3	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	114.5120	0.000	1	114.5120	0.000	1	113.6047	0.850	3	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	112.6690	0.000	1	112.6690	0.000	1	113.6047	0.850	3	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	113.6330	0.000	1	113.6330	0.000	1	113.6047	0.850	3	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	114.1300	0.000	1	113.7778	0.845	6	113.7778	0.845	6	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	113.4990	0.000	1	113.7778	0.845	6	113.7778	0.845	6	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	113.8215	0.105	2	113.7778	0.845	6	113.7778	0.845	6	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	112.2840	0.000	1	113.7778	0.845	6	113.7778	0.845	6	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	115.1110	0.000	1	113.7778	0.845	6	113.7778	0.845	6	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.6930	0.000	1	111.6930	0.000	1	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.0260	0.000	1	111.0260	0.000	1	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	110.8700	0.000	1	110.8700	0.000	1	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	112.4260	0.000	1	112.4260	0.000	1	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.7260	0.000	1	114.7870	2.251	2	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	115.8480	0.000	1	114.7870	2.251	2	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	114.7975	1.662	2	114.7975	2.764	2	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.3080	0.000	1	109.3080	0.000	1	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.5710	0.472	3	112.5710	0.223	3	112.6837	3.797	12	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	111.7820	1.389	2	111.7820	1.929	2	111.7820	1.929	2	112.4497	4.855	26	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.6115	1.115	2	108.6115	1.243	2	108.7277	0.662	3	111.0546	4.516	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|O<2>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	108.9600	0.000	1	108.9600	0.000	1	108.7277	0.662	3	111.0546	4.516	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,7|H<1>}	112.0700	0.000	1	112.0700	0.000	1	111.7653	0.380	3	111.0546	4.516	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	112.1700	0.000	1	111.6130	0.620	2	111.7653	0.380	3	111.0546	4.516	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	111.0560	0.000	1	111.6130	0.620	2	111.7653	0.380	3	111.0546	4.516	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	113.4790	0.099	2	113.4790	0.010	2	113.4790	0.010	2	111.0546	4.516	8	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	114.2955	1.240	2	114.2955	1.537	2	114.2955	1.537	2	114.2955	1.537	2	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	105.1655	0.136	2	105.1655	0.019	2	105.9483	6.046	6	106.9710	12.359	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	105.0015	0.288	2	105.0015	0.083	2	105.9483	6.046	6	106.9710	12.359	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	104.4280	0.000	1	104.4280	0.000	1	105.9483	6.046	6	106.9710	12.359	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	110.9280	0.000	1	110.9280	0.000	1	105.9483	6.046	6	106.9710	12.359	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	106.9710	12.359	7	112.2804	6.098	545	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,7|C<3>}	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H){1|H<1>,6|C<3>}	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,5a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|S<2>,9|C<3>}	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	113.0900	4.188	2	112.9098	3.504	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	111.6430	0.000	1	111.6430	0.000	1	111.6430	0.000	1	113.0900	4.188	2	112.9098	3.504	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[5,6a,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[5,6]C[6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|F<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[5,6]C[6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,2|O<2>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	112.9098	3.504	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	C[6a](C[5,6]C[5,6,6a]C[6]N[5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,6,6a]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	112.9098	3.504	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6,6a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]H)2	C[5,6,6a](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]C[5]){5|H<1>,6|C<3>}	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	112.9098	3.504	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	119.3490	1.192	2	119.3490	1.421	2	119.3490	1.421	2	119.6140	1.348	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	119.8790	1.530	2	119.8790	2.341	2	119.8790	2.341	2	119.6140	1.348	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:2:	4:3:2:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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])	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	111.0290	0.000	1	111.0290	0.000	1	111.4035	0.281	2	111.4035	0.281	2	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	111.7780	0.000	1	111.7780	0.000	1	111.4035	0.281	2	111.4035	0.281	2	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.9582	2.364	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.9582	2.364	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.9582	2.364	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[5,6]C[5,6a]N[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6a]N[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	109.9582	2.364	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	111.0225	0.701	2	111.0225	0.491	2	111.3587	0.585	3	111.3587	0.585	3	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	112.0310	0.000	1	112.0310	0.000	1	111.3587	0.585	3	111.3587	0.585	3	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|F<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,3|O<2>}	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	114.3400	0.000	1	113.6957	0.536	3	113.6957	0.536	3	113.6957	0.536	3	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	113.3735	0.670	2	113.6957	0.536	3	113.6957	0.536	3	113.6957	0.536	3	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:4:2:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]O[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[5,6]C[5,6a]O[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	115.5530	0.929	2	115.5530	0.863	2	115.5530	0.863	2	115.5530	0.863	2	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,4|C<3>,6|H<1>}	113.0537	0.499	3	113.0537	0.249	3	113.0537	0.249	3	113.0537	0.249	3	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,8|H<1>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	111.2655	0.844	2	111.2655	0.712	2	111.0415	0.334	4	111.0415	0.334	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,7|H<1>}	110.8175	0.298	2	110.8175	0.089	2	111.0415	0.334	4	111.0415	0.334	4	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	114.1790	0.000	1	114.1790	0.000	1	113.8575	0.207	2	113.8575	0.207	2	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5,6a]	4:3:2:3:	4:3:3:	4:3:3:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	113.5360	0.000	1	113.5360	0.000	1	113.8575	0.207	2	113.8575	0.207	2	113.1523	11.349	29	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5a,6]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a]){1|H<1>,2|C<4>,7|C<3>}	116.8045	0.633	2	116.8045	0.401	2	116.8045	0.401	2	117.4197	0.697	4	115.8412	12.982	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5a,6]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	117.7390	0.000	1	118.0350	0.175	2	118.0350	0.175	2	117.4197	0.697	4	115.8412	12.982	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5a,6]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	118.3310	0.000	1	118.0350	0.175	2	118.0350	0.175	2	117.4197	0.697	4	115.8412	12.982	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5,6]	C[6a]	C[5a,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	C[6a](C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|C<3>,5|H<1>}	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	115.8412	12.982	5	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H){8|C<3>}	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,4|C<3>}	115.8020	0.577	2	115.8020	0.333	2	115.7190	0.187	3	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C){5|C<3>}	115.5530	0.000	1	115.5530	0.000	1	115.7190	0.187	3	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,5|C<3>}	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,3|C<3>}	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){2|H<1>,4|C<3>}	116.7500	0.000	1	116.7500	0.000	1	115.0695	5.648	2	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	113.3890	0.000	1	113.3890	0.000	1	115.0695	5.648	2	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	115.3124	1.238	8	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{2|S<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){8|C<3>}	111.1470	3.992	8	111.1470	15.934	8	111.1470	15.934	8	111.3358	13.466	10	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){1|H<1>,8|C<3>}	112.0910	2.869	2	112.0910	8.234	2	112.0910	8.234	2	111.3358	13.466	10	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:2:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a]){1|S<2>,7|C<3>}	111.2840	1.980	2	111.2840	3.920	2	111.2840	3.920	2	111.2840	3.920	2	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)(C[5a]C[5a]H){7|C<3>}	110.4380	3.412	2	110.4380	11.645	2	110.4380	11.645	2	111.8857	6.889	7	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)2(C[5]C[5]C){1|S<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H){1|H<1>,1|S<1>,5|C<3>}	110.8410	2.137	2	110.8410	4.566	2	110.8410	4.566	2	111.8857	6.889	7	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	112.3475	1.353	2	112.3475	1.830	2	112.3475	1.830	2	111.8857	6.889	7	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[5]C[5,5a]N[5]C)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	111.8857	6.889	7	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:4:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C){8|C<3>}	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH){6|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	110.3860	0.991	2	110.3860	0.983	2	110.3860	0.983	2	110.3860	0.983	2	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	115.4960	0.000	1	115.4960	0.000	1	115.1600	2.730	4	114.9494	2.270	5	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	112.8950	0.000	1	112.8950	0.000	1	115.1600	2.730	4	114.9494	2.270	5	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	116.8620	0.000	1	116.8620	0.000	1	115.1600	2.730	4	114.9494	2.270	5	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	115.3870	0.000	1	115.3870	0.000	1	115.1600	2.730	4	114.9494	2.270	5	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	114.9494	2.270	5	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.1320	0.000	1	119.1320	0.000	1	116.7470	11.376	2	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|S<4>,2|C<3>,4|H<1>}	114.3620	0.000	1	114.3620	0.000	1	116.7470	11.376	2	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	113.0150	0.000	1	113.0150	0.000	1	115.0340	3.209	3	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){3|H<1>,5|C<3>}	116.4330	0.000	1	116.4330	0.000	1	115.0340	3.209	3	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){4|C<3>,4|H<1>}	115.6540	0.000	1	115.6540	0.000	1	115.0340	3.209	3	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,2|H<1>,5|C<3>}	115.4360	0.000	1	115.4394	0.667	7	115.1435	1.272	8	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|C<2>,2|H<1>,5|C<3>}	114.6770	0.000	1	115.4394	0.667	7	115.1435	1.272	8	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	115.5926	0.909	5	115.4394	0.667	7	115.1435	1.272	8	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	113.0720	0.000	1	113.0720	0.000	1	115.1435	1.272	8	115.3649	2.603	13	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:4:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H)	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,6|C<3>}	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	117.0850	0.442	2	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:1:	4:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){4|H<1>,6|C<3>}	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	117.0850	0.442	2	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	114.9535	0.923	2	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){3|H<1>,5|C<3>}	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	114.9535	0.923	2	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	114.0280	0.000	1	114.0280	0.000	1	114.0280	0.000	1	114.0280	0.000	1	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|N<3>,2|H<1>,7|C<3>}	111.1645	0.521	2	111.3160	13.247	6	111.3160	13.247	6	111.3160	13.247	6	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){2|H<1>,8|C<3>}	111.3918	4.687	4	111.3160	13.247	6	111.3160	13.247	6	111.3160	13.247	6	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:4:	4:3:3:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H){1|N<3>,2|C<4>,5|C<3>}	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,5a]	4:3:3:1:	4:3:3:	3:4:2:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:O[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a]){1|S<4>,6|C<3>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	113.5918	9.438	63	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	117.1780	0.443	2	117.1780	0.196	2	117.6583	0.790	3	117.9346	0.538	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.6190	0.000	1	118.6190	0.000	1	117.6583	0.790	3	117.9346	0.538	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.3490	0.027	2	118.3490	0.001	2	118.3490	0.001	2	117.9346	0.538	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl)	C[6a](C[5]C[5,6a]O[5]Cl)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]Cl)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	118.2000	0.000	1	118.2000	0.000	1	118.2000	0.000	1	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F){1|H<1>,1|O<2>,3|C<3>}	116.9700	0.000	1	116.9700	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	113.4900	0.000	1	113.4900	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	116.8240	0.000	1	116.8240	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	114.8560	0.000	1	114.1130	1.104	2	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	113.3700	0.000	1	114.1130	1.104	2	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	116.2830	0.000	1	116.2830	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	117.5560	0.000	1	117.5560	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H){2|H<1>,2|O<2>,3|C<3>}	113.7060	0.000	1	113.7060	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,4|C<3>}	112.6850	0.000	1	112.6850	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	114.8350	0.188	3	114.3987	0.609	6	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	113.9623	0.956	3	114.3987	0.609	6	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	117.7560	0.000	1	114.1530	12.307	3	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.3515	2.268	2	114.1530	12.307	3	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){1|C<5>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<5>,1|N<3>,2|H<1>,3|C<3>}	114.0720	0.000	1	113.1060	1.866	2	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	112.1400	0.000	1	113.1060	1.866	2	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	112.2670	0.000	1	112.2670	0.000	1	114.4319	3.455	21	114.6215	3.764	23	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a])	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.9550	0.000	1	116.9550	0.000	1	116.9550	0.000	1	117.0430	0.015	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC)	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	117.0430	0.015	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.3940	0.000	1	111.3940	0.000	1	111.7050	0.193	2	111.5227	0.196	3	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	112.0160	0.000	1	112.0160	0.000	1	111.7050	0.193	2	111.5227	0.196	3	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC)	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.5227	0.196	3	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	113.5598	3.934	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|As<5>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	114.0710	0.000	1	114.0710	0.000	1	114.2514	1.330	5	113.5598	3.934	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>}	113.9715	1.296	2	113.9715	1.680	2	114.2514	1.330	5	113.5598	3.934	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	115.8820	0.000	1	115.8820	0.000	1	114.2514	1.330	5	113.5598	3.934	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.3610	0.000	1	113.3610	0.000	1	114.2514	1.330	5	113.5598	3.934	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2H){1|N<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.6780	3.741	2	118.6780	13.992	2	118.6780	13.992	2	118.6780	13.992	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	115.5746	4.794	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.8255	0.185	2	116.7650	4.907	4	116.7650	4.907	4	115.5746	4.794	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.7045	3.830	2	116.7650	4.907	4	116.7650	4.907	4	115.5746	4.794	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	115.7130	0.639	2	115.7130	0.409	2	115.7130	0.409	2	115.5746	4.794	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	115.5746	4.794	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	120.7670	0.598	2	120.7670	0.358	2	120.7670	0.358	2	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	123.4630	0.000	1	123.4630	0.000	1	117.4577	11.621	6	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	114.2590	0.000	1	116.4300	9.426	2	117.4577	11.621	6	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	118.6010	0.000	1	116.4300	9.426	2	117.4577	11.621	6	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	117.1580	0.000	1	117.1580	0.000	1	117.4577	11.621	6	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	115.6325	1.937	2	115.6325	3.751	2	117.4577	11.621	6	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	116.4280	0.000	1	115.7753	0.548	3	114.1237	2.882	7	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|Sn<4>,1|H<1>,7|C<3>}	115.9270	0.000	1	115.7753	0.548	3	114.1237	2.882	7	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	114.9710	0.000	1	115.7753	0.548	3	114.1237	2.882	7	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	112.8850	0.791	4	112.8850	0.626	4	114.1237	2.882	7	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	116.6880	0.000	1	116.6880	0.000	1	116.6880	0.000	1	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H){1|O<1>,2|H<1>,6|C<3>}	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	115.9695	10.318	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	113.2740	0.000	1	113.4467	0.270	3	112.7952	1.878	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.5330	0.704	2	113.4467	0.270	3	112.7952	1.878	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.8410	0.000	1	110.8410	0.000	1	112.7952	1.878	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	114.0120	0.000	1	114.0120	0.000	1	112.9465	2.271	2	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	111.8810	0.000	1	111.8810	0.000	1	112.9465	2.271	2	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.0030	0.904	2	118.0030	0.817	2	116.5832	3.773	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.1635	1.562	2	115.1635	2.440	2	116.5832	3.773	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.8250	0.000	1	113.8250	0.000	1	114.7572	2.297	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.2700	0.000	1	115.0680	2.867	3	114.7572	2.297	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.6320	0.000	1	115.0680	2.867	3	114.7572	2.297	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	115.3020	0.000	1	115.0680	2.867	3	114.7572	2.297	4	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	117.4130	5.036	2	117.4130	25.361	2	117.4130	25.361	2	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	115.4125	2.278	2	115.4125	5.187	2	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.1279	0.969	8	114.1279	0.940	8	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.4495	1.019	2	117.3390	6.595	4	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.2285	4.324	2	117.3390	6.595	4	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.7560	1.909	2	112.7560	3.645	2	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.9775	0.269	2	113.9775	0.073	2	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.0520	0.000	1	114.5216	1.820	9	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	114.8270	0.286	2	114.5216	1.820	9	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.8550	2.441	2	114.5216	1.820	9	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	115.4715	0.308	2	114.5216	1.820	9	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.6675	1.829	2	114.5216	1.820	9	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	112.7915	1.554	2	112.7915	2.413	2	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	114.0615	1.884	4	114.0615	3.550	4	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	112.3530	0.000	1	112.3530	0.000	1	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	112.0990	0.000	1	112.0990	0.000	1	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	111.7380	0.000	1	111.8805	0.478	6	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	111.7770	0.000	1	111.8805	0.478	6	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.9420	0.884	4	111.8805	0.478	6	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	111.5680	0.000	1	111.5680	0.000	1	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	111.6200	0.000	1	111.6200	0.000	1	113.9097	3.976	43	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	116.2640	0.000	1	116.2640	0.000	1	115.3395	1.709	2	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|I<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	114.4150	0.000	1	114.4150	0.000	1	115.3395	1.709	2	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	115.2850	0.000	1	115.2850	0.000	1	114.2247	2.918	3	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	112.2540	0.000	1	112.2540	0.000	1	114.2247	2.918	3	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F)	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]F)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.1350	0.000	1	115.1350	0.000	1	114.2247	2.918	3	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	110.1867	0.962	3	110.8198	2.790	15	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	110.6078	1.349	10	110.8198	2.790	15	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	115.1870	0.000	1	110.8198	2.790	15	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	110.4720	0.000	1	110.8198	2.790	15	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	114.0870	0.000	1	114.0870	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	117.5550	0.000	1	117.5550	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	114.8150	0.000	1	112.4406	6.569	11	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	113.0320	0.000	1	112.4406	6.569	11	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	110.4123	0.567	6	112.4406	6.569	11	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.5087	1.608	3	112.4406	6.569	11	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	115.6140	0.000	1	115.6140	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	112.7160	0.000	1	113.8350	2.504	2	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	114.9540	0.000	1	113.8350	2.504	2	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	114.4120	0.000	1	114.4120	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	116.7590	0.000	1	116.7590	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.2915	3.154	2	116.2915	9.950	2	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|P<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	114.9560	0.000	1	114.9560	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	114.0830	0.000	1	114.0830	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.3590	0.652	2	117.4387	1.668	4	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.5185	1.091	2	117.4387	1.668	4	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	111.9040	0.000	1	111.9040	0.000	1	113.0600	8.531	42	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	116.1700	0.000	1	114.1515	8.149	2	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.1330	0.000	1	114.1515	8.149	2	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.8810	0.000	1	117.8810	0.000	1	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	115.2190	0.000	1	115.2190	0.000	1	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.9480	0.000	1	110.9480	0.000	1	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	112.2110	0.000	1	112.2110	0.000	1	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	112.3390	0.000	1	113.1276	1.102	9	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	113.5487	0.599	6	113.1276	1.102	9	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	112.2585	1.955	2	113.1276	1.102	9	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	115.3300	0.000	1	115.3300	0.000	1	113.6275	3.498	16	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5,5a]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5,5a]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.5060	2.140	3	114.5060	4.579	3	113.8538	4.307	6	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	113.5310	0.000	1	113.5310	0.000	1	113.8538	4.307	6	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	115.2350	0.000	1	115.2350	0.000	1	113.8538	4.307	6	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	110.8390	0.000	1	110.8390	0.000	1	113.8538	4.307	6	113.7452	5.826	129	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5,6a]2O)(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.4600	2.632	2	110.4600	6.927	2	110.4600	6.927	2	112.3865	3.130	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.5839	1.277	12	112.5839	1.630	12	112.4887	2.461	16	112.3865	3.130	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5,6a]2O)(C[6a]C[6a]O){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.2030	2.486	4	112.2030	6.181	4	112.4887	2.461	16	112.3865	3.130	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	112.3865	3.130	19	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,8|C<3>}	112.4430	0.000	1	112.4430	0.000	1	113.2005	0.257	4	113.2005	0.257	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|I<1>,7|C<3>}	113.4315	0.066	2	113.4530	0.004	3	113.2005	0.257	4	113.2005	0.257	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|N<2>,7|C<3>}	113.4960	0.000	1	113.4530	0.004	3	113.2005	0.257	4	113.2005	0.257	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.2155	3.249	2	112.2155	10.557	2	112.2155	10.557	2	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.3390	0.206	2	113.3390	0.043	2	113.3390	0.043	2	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	113.4245	1.319	16	113.3319	1.751	44	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.2790	1.347	28	113.3319	1.751	44	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	113.5270	0.000	1	113.1652	2.613	10	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.1250	1.709	9	113.1652	2.613	10	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	115.2860	4.974	2	115.2860	24.739	2	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.8750	0.803	2	111.8750	0.645	2	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.4850	1.162	2	111.8113	2.798	98	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.6931	2.056	30	111.8113	2.798	98	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.5875	1.733	2	111.8113	2.798	98	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.9152	1.492	64	111.8113	2.798	98	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	111.5373	1.252	4	111.5373	1.568	4	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.0205	4.590	2	116.0205	21.067	2	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.8320	0.000	1	109.8320	0.000	1	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.3700	1.474	3	111.3700	2.172	3	112.3628	3.392	166	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.7515	4.349	2	118.7515	18.917	2	118.7515	18.917	2	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.6110	0.000	1	109.6110	0.000	1	110.9488	1.173	4	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	111.0070	0.481	2	111.0070	0.231	2	110.9488	1.173	4	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	112.1700	0.000	1	112.1700	0.000	1	110.9488	1.173	4	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.1630	0.000	1	109.1630	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	111.0060	0.000	1	111.0060	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.1480	0.000	1	113.1480	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	111.4735	0.189	2	111.2760	0.135	3	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	110.8810	0.000	1	111.2760	0.135	3	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	112.8200	0.000	1	112.8200	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	114.7440	0.000	1	114.7440	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.3570	0.000	1	113.3570	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	115.4540	0.000	1	115.4540	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|H<1>}	116.7330	0.000	1	116.7330	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.5310	0.000	1	114.5310	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	114.8400	0.000	1	113.6785	2.698	2	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.5170	0.000	1	113.6785	2.698	2	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	116.2560	0.000	1	116.2560	0.000	1	113.2265	4.776	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.1350	0.672	2	112.1350	0.451	2	115.2038	8.202	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.4790	0.000	1	117.4790	0.000	1	115.2038	8.202	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6])	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.8010	0.000	1	117.8010	0.000	1	115.2038	8.202	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC)	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(SC){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]S)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.4690	0.000	1	116.4690	0.000	1	115.2038	8.202	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	110.6118	3.321	4	110.6118	11.031	4	110.6118	11.031	4	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	110.0640	0.000	1	110.0640	0.000	1	112.8557	4.426	23	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	113.3358	1.773	12	112.9825	4.249	22	112.8557	4.426	23	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.4715	2.002	2	112.9825	4.249	22	112.8557	4.426	23	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.5805	2.600	8	112.9825	4.249	22	112.8557	4.426	23	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]C[5]){1|S<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	111.7145	2.835	2	111.7145	8.036	2	111.7145	8.036	2	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.5420	0.000	1	116.5420	0.000	1	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.7280	0.000	1	110.7280	0.000	1	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	115.2725	1.087	2	115.2725	1.181	2	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.5030	0.000	1	114.3600	2.613	2	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.2170	0.000	1	114.3600	2.613	2	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	111.8260	0.000	1	111.8260	0.000	1	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	113.5387	1.962	3	113.0644	2.338	7	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	111.8720	0.000	1	113.0644	2.338	7	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.9877	1.451	3	113.0644	2.338	7	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	111.7450	0.000	1	111.7450	0.000	1	113.4371	3.548	15	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	114.5790	0.000	1	114.5790	0.000	1	112.2442	2.188	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	112.8520	0.000	1	112.8520	0.000	1	112.2442	2.188	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	111.0970	0.000	1	111.0970	0.000	1	112.2442	2.188	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H){1|H<1>,1|O<1>,4|C<3>}	111.3465	0.056	2	111.3465	0.003	2	112.2442	2.188	5	112.5733	4.340	250	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]2C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.8610	1.738	2	110.8610	3.021	2	110.8610	3.021	2	111.3493	2.226	3	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	111.3493	2.226	3	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:2:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2{1|N<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	110.2335	3.501	4	110.2335	12.259	4	110.2335	12.259	4	110.2335	12.259	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2{4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	111.2815	4.373	2	111.2412	9.726	4	111.2412	9.726	4	111.2412	9.726	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2{4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	111.2010	3.169	2	111.2412	9.726	4	111.2412	9.726	4	111.2412	9.726	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a]){8|C<3>}	111.1750	4.124	2	111.1750	17.006	2	111.1750	17.006	2	110.3702	10.836	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,8|C<3>}	109.9740	3.521	2	109.9740	12.400	2	109.9740	12.400	2	110.3702	10.836	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a]){1|O<1>,8|C<3>}	109.9615	4.778	2	109.9615	22.829	2	109.9615	22.829	2	110.3702	10.836	6	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	111.0815	0.340	2	111.0815	0.116	2	111.0815	0.116	2	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	112.0960	2.728	2	112.0960	7.442	2	111.4384	1.402	12	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{2|S<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	111.5699	0.766	8	111.5699	0.587	8	111.4384	1.402	12	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	110.2550	0.272	2	110.2550	0.074	2	111.4384	1.402	12	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|Se<2>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|C<3>}	111.1410	3.528	2	111.1410	12.450	2	111.1410	12.450	2	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5a,6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[5a,6a]C[5a,6a]2)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,9|C<3>}	111.6095	5.878	2	111.6095	34.553	2	111.6095	34.553	2	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	111.5830	2.118	2	111.5830	4.488	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	111.5345	3.053	2	111.5345	9.318	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.4565	6.409	2	110.4565	41.069	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	110.3320	1.027	2	110.3320	1.054	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	112.0600	1.796	2	112.0600	3.226	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.1925	4.109	2	111.1925	16.884	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.3735	1.906	8	110.3735	3.634	8	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.4845	2.010	2	109.6659	3.186	24	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.8087	1.333	10	109.6659	3.186	24	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.9105	1.973	12	109.6659	3.186	24	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.9165	3.518	4	109.9165	12.374	4	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	110.7210	2.784	6	110.7210	7.752	6	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,7|C<3>}	111.1245	0.134	2	111.1245	0.018	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	111.6495	0.760	2	111.6495	0.578	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	108.6560	1.983	2	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.3925	4.554	2	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.4370	1.906	2	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.5457	3.906	4	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	111.3560	2.490	4	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,1|H<1>,7|C<3>}	110.9210	4.391	2	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	111.1285	3.147	2	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	111.0418	2.386	4	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.7688	2.524	98	110.7683	6.463	120	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	111.0835	3.262	2	111.0835	10.640	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	110.9827	2.017	4	110.9827	4.069	4	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.2990	0.083	2	109.2990	0.007	2	110.6221	5.869	186	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	111.8810	0.000	1	111.8810	0.000	1	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.1460	0.062	2	115.1460	0.004	2	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.5210	0.000	1	112.5210	0.000	1	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	113.6530	0.000	1	113.6530	0.000	1	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	111.5770	0.298	2	112.2300	0.604	4	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	112.7940	0.000	1	112.2300	0.604	4	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	112.9720	0.000	1	112.2300	0.604	4	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	115.3020	0.000	1	115.3020	0.000	1	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.8950	0.000	1	115.8950	0.000	1	113.4967	2.627	11	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	108.8995	0.487	2	108.9670	0.132	3	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	109.1020	0.000	1	108.9670	0.132	3	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.7900	0.000	1	113.0850	0.174	2	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.3800	0.000	1	113.0850	0.174	2	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.4520	0.000	1	110.4520	0.000	1	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	112.8600	0.000	1	112.8600	0.000	1	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	112.1710	1.721	2	111.6900	2.175	3	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	110.7280	0.000	1	111.6900	2.175	3	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.7330	0.000	1	113.5207	0.035	3	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.4145	0.054	2	113.5207	0.035	3	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	113.4570	0.000	1	113.4570	0.000	1	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	114.6377	0.488	4	114.6377	0.238	4	112.4457	4.251	18	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	110.5950	1.857	2	110.5950	3.448	2	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]H){5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	110.2490	5.193	2	110.2490	26.967	2	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	112.0400	3.507	2	112.0400	12.301	2	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	108.5363	1.795	6	108.5363	3.223	6	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.2550	0.000	1	109.2550	0.000	1	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	112.0680	3.582	2	112.0680	12.832	2	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	113.4600	0.000	1	113.7263	1.058	3	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	113.8595	1.418	2	113.7263	1.058	3	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.8188	1.711	5	111.8714	3.791	12	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	109.4560	0.000	1	111.8714	3.791	12	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	110.2280	0.615	2	111.8714	3.791	12	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	113.9575	0.217	2	111.8714	3.791	12	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	110.2680	0.027	2	111.8714	3.791	12	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	113.2459	1.733	8	113.2459	3.004	8	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,3|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	111.1410	0.000	1	111.1410	0.000	1	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	113.9000	0.000	1	113.9000	0.000	1	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]O[5]O){5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.5590	0.344	2	112.5590	0.118	2	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]H){1|Ru<6>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Ru<6>,3|H<1>,5|C<3>}	110.4435	5.356	2	110.4435	28.690	2	111.6142	6.506	44	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H)	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	110.4290	3.235	4	110.4290	10.463	4	110.4290	10.463	4	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.8300	0.000	1	112.8300	0.000	1	111.9760	1.504	5	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	111.7625	1.304	4	111.7625	1.701	4	111.9760	1.504	5	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cu<3>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){1|Cu<3>,2|H<1>,6|C<3>}	111.1550	7.630	2	111.1550	58.212	2	111.3360	19.821	4	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.5170	1.058	2	111.5170	1.119	2	111.3360	19.821	4	111.0687	6.146	291	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2C[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2){1|Pd<4>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]2C[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	110.0240	0.471	2	110.0240	0.222	2	110.0240	0.222	2	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[5]C[5,6a]2N[5])(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[6a](C[5]C[5,6a]2N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	111.8275	1.815	6	111.8275	3.295	6	111.8275	3.295	6	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.2980	0.000	1	111.2980	0.000	1	114.7800	16.984	3	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	113.7120	0.000	1	113.7120	0.000	1	114.7800	16.984	3	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	119.3300	0.000	1	119.3300	0.000	1	114.7800	16.984	3	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	115.0960	0.000	1	115.0960	0.000	1	115.0960	0.000	1	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,6a]N[5a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]N[5a]N[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	111.8700	10.531	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.5813	1.425	3	114.5813	2.031	3	114.5813	2.031	3	114.5813	2.031	3	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	114.7350	0.000	1	111.5360	20.467	2	111.5360	20.467	2	111.5360	20.467	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	108.3370	0.000	1	111.5360	20.467	2	111.5360	20.467	2	111.5360	20.467	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C){1|H<1>,7|C<3>}	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	111.8129	2.064	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|Cl<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){1|C<4>,4|H<1>,6|C<3>}	111.8750	2.584	2	111.6162	2.823	4	111.6162	2.823	4	111.8129	2.064	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|Cl<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){4|H<1>,7|C<3>}	111.3575	1.235	2	111.6162	2.823	4	111.6162	2.823	4	111.8129	2.064	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5]){4|H<1>,9|C<3>}	112.0165	1.880	2	112.0165	3.535	2	112.0165	3.535	2	111.8129	2.064	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C[6a](C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.7465	0.125	2	114.7465	0.016	2	114.7465	0.016	2	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	112.9720	0.000	1	112.9720	0.000	1	110.5155	12.069	2	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.0590	0.000	1	108.0590	0.000	1	110.5155	12.069	2	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.1350	0.571	2	116.1350	0.326	2	116.1350	0.326	2	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	105.8170	0.000	1	105.8170	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	113.7090	0.000	1	113.7090	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	111.4480	0.000	1	111.4480	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	110.3790	0.000	1	110.3790	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.7900	0.000	1	110.7900	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.6475	1.088	2	112.6475	1.184	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.3210	0.000	1	113.1235	1.288	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	113.9260	0.000	1	113.1235	1.288	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	110.2330	0.000	1	110.2330	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.1190	0.000	1	112.4602	1.457	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	114.0010	0.000	1	112.4602	1.457	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	110.8070	0.000	1	112.4602	1.457	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	113.1870	0.000	1	112.4602	1.457	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.1870	0.000	1	112.4602	1.457	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.4600	0.000	1	112.4600	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.3085	0.459	2	113.3085	0.211	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	112.3015	0.013	2	112.3015	0.000	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.2460	0.139	2	114.2460	0.019	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	113.2940	0.000	1	113.2940	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.7080	0.000	1	113.7080	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	113.2075	0.397	2	113.3833	0.171	3	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	113.7350	0.000	1	113.3833	0.171	3	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	113.4200	0.000	1	113.4200	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.7900	0.000	1	110.7900	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.2340	0.000	1	114.2340	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	111.9490	0.000	1	111.9490	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	115.7610	0.000	1	115.7610	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.9060	0.000	1	115.9060	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	112.6830	0.479	2	112.6284	0.539	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.0230	0.000	1	112.6284	0.539	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	112.0310	0.000	1	112.6284	0.539	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	113.7220	0.000	1	112.6284	0.539	5	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.2210	0.000	1	116.2210	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.7980	0.000	1	112.7980	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	115.0425	1.661	2	115.0425	2.759	2	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	115.2550	0.000	1	115.2550	0.000	1	112.9094	3.404	43	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC){6|C<3>,7|H<1>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){2|C<2>,4|H<1>,5|C<3>}	111.6750	4.789	2	111.6750	22.930	2	111.4925	4.771	10	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	111.4650	1.730	4	111.4650	2.995	4	111.4925	4.771	10	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	111.0210	2.063	2	111.4288	3.646	4	111.4925	4.771	10	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){5|H<1>,6|C<3>}	111.8365	2.453	2	111.4288	3.646	4	111.4925	4.771	10	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.0250	0.195	2	114.0250	0.038	2	111.7860	5.633	5	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	111.1150	0.000	1	111.1150	0.000	1	111.7860	5.633	5	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	109.8825	2.184	2	109.8825	4.771	2	111.7860	5.633	5	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C[6a](C[5]C[5,6a]N[5,5a]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5,5a]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	112.0460	0.846	2	112.0460	0.715	2	112.0460	0.715	2	112.5328	4.830	68	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[6a](C[5]C[5,6a]N[5,5a]C[3])(C[6a]C[6a]H)2	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[6a](C[5]C[5,6a]N[5,5a]C[3])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	112.5737	1.103	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	112.1905	0.419	2	112.1905	0.176	2	112.8220	1.284	3	112.5737	1.103	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	114.0850	0.000	1	114.0850	0.000	1	112.8220	1.284	3	112.5737	1.103	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|S<4>,5|C<3>,5|H<1>}	116.0780	0.000	1	116.0780	0.000	1	115.5494	2.673	16	115.5494	2.673	16	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|H<1>,5|C<3>}	116.0520	0.000	1	116.0520	0.000	1	115.5494	2.673	16	115.5494	2.673	16	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,3|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	116.4350	3.250	2	116.4350	10.562	2	115.5494	2.673	16	115.5494	2.673	16	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	114.3877	0.611	3	114.3877	0.373	3	115.5494	2.673	16	115.5494	2.673	16	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	114.3975	0.230	4	115.6253	2.823	9	115.5494	2.673	16	115.5494	2.673	16	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	116.6076	1.701	5	115.6253	2.823	9	115.5494	2.673	16	115.5494	2.673	16	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	117.2300	1.233	2	117.2300	1.521	2	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.6525	1.118	2	111.9385	0.910	4	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.2245	1.074	2	111.9385	0.910	4	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	116.9850	0.000	1	116.9850	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	117.7650	0.000	1	117.7650	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	114.8760	0.000	1	114.8760	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.1130	0.000	1	114.5918	1.250	5	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.4900	0.571	2	114.5918	1.250	5	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.7920	0.000	1	114.5918	1.250	5	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){4|C<3>,5|H<1>}	115.0740	0.000	1	114.5918	1.250	5	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2{1|Cl<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	112.7610	0.000	1	112.7610	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	118.8520	0.000	1	116.5547	3.960	3	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	115.4450	0.000	1	116.5547	3.960	3	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|C<3>,3|C<4>,3|H<1>}	115.3670	0.000	1	116.5547	3.960	3	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|B<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|B<3>,3|C<3>,5|H<1>}	114.8580	0.470	2	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	115.6200	0.000	1	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.6783	1.246	6	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	115.6542	1.381	4	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	115.8740	1.354	7	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	116.6000	0.000	1	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.3040	0.000	1	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	115.1680	0.000	1	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.9780	0.000	1	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	115.7482	0.796	5	115.8597	1.369	29	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	115.9110	0.000	1	115.9110	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|S<4>,3|C<3>,4|H<1>}	114.9290	0.000	1	114.9290	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	115.8160	0.437	2	115.8160	0.191	2	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	112.9020	0.000	1	112.9020	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	113.9790	0.000	1	113.6720	0.188	2	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	113.3650	0.000	1	113.6720	0.188	2	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	113.4610	0.000	1	113.4610	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	113.2550	0.000	1	113.2550	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	114.6255	0.781	4	114.6255	0.610	4	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.1340	0.000	1	116.2355	0.021	2	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	116.3370	0.000	1	116.2355	0.021	2	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	115.5230	0.000	1	115.5230	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	112.1820	0.000	1	112.1820	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	118.0300	0.000	1	118.0300	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	114.9430	0.000	1	114.9430	0.000	1	115.2764	2.812	66	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	115.3337	2.989	67	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O){2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.7360	0.000	1	115.7360	0.000	1	115.2705	0.433	2	115.2705	0.433	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	114.8050	0.000	1	114.8050	0.000	1	115.2705	0.433	2	115.2705	0.433	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	115.1156	5.365	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	115.1156	5.365	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	115.9480	0.000	1	115.9480	0.000	1	115.7162	6.009	5	115.1156	5.365	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC){1|C<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,5|H<1>}	117.4290	0.000	1	117.4290	0.000	1	115.7162	6.009	5	115.1156	5.365	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.2545	0.238	2	113.2545	0.057	2	115.7162	6.009	5	115.1156	5.365	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	118.6950	0.000	1	118.6950	0.000	1	115.7162	6.009	5	115.1156	5.365	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5])	C[6a](C[5]C[5,6a]C[6]O[5])(C[6a]C[6a]H)2	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5]){2|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	116.2570	0.000	1	116.2570	0.000	1	116.2570	0.000	1	116.2570	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.3490	0.000	1	119.3490	0.000	1	116.1865	8.812	4	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|C<3>,6|H<1>}	118.0240	0.000	1	118.0240	0.000	1	116.1865	8.812	4	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.1580	0.000	1	113.1580	0.000	1	116.1865	8.812	4	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	114.2150	0.000	1	114.2150	0.000	1	116.1865	8.812	4	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	114.9090	0.000	1	114.9090	0.000	1	113.4660	4.164	2	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]O[5]O){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.0230	0.000	1	112.0230	0.000	1	113.4660	4.164	2	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	114.7520	7.027	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]H)2	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(C[5]O[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	113.5640	0.000	1	113.2850	0.156	2	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){4|C<3>,5|H<1>}	113.0060	0.000	1	113.2850	0.156	2	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	114.5030	0.000	1	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	111.8195	0.443	2	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.9590	0.000	1	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	112.9827	0.195	3	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	112.9458	0.713	10	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.4940	0.000	1	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	112.8750	0.000	1	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	113.5585	0.435	2	112.9997	0.550	21	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br){2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	113.9900	0.000	1	113.9900	0.000	1	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.4215	0.216	4	112.6692	0.342	5	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	113.6600	0.000	1	112.6692	0.342	5	112.9965	0.508	29	112.9965	0.508	29	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H){2|H<1>,3|C<3>,7|C<4>}	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	116.2182	1.005	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	114.9910	0.000	1	114.9910	0.000	1	116.3490	1.406	3	116.2182	1.005	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	116.8780	0.000	1	116.8780	0.000	1	116.3490	1.406	3	116.2182	1.005	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	117.1780	0.000	1	117.1780	0.000	1	116.3490	1.406	3	116.2182	1.005	4	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	116.0000	0.000	1	115.6670	0.222	2	115.6670	0.222	2	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	115.3340	0.000	1	115.6670	0.222	2	115.6670	0.222	2	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	115.4830	0.000	1	115.4830	0.000	1	114.5345	1.799	2	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.5860	0.000	1	113.5860	0.000	1	114.5345	1.799	2	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.1465	0.271	2	112.1465	0.073	2	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.1047	2.671	3	112.1047	7.133	3	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	115.9930	0.000	1	115.9930	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	115.1400	0.000	1	115.1400	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	118.7590	0.000	1	118.7590	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl){1|Si<4>,2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	112.1070	0.000	1	112.1070	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	116.0380	0.000	1	116.0380	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.1620	0.000	1	119.1620	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	113.8310	0.000	1	113.8310	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	118.8335	0.397	2	118.8335	0.157	2	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	115.4390	0.000	1	116.5735	2.214	4	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	117.7035	1.238	2	116.5735	2.214	4	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	115.4480	0.000	1	116.5735	2.214	4	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	114.2750	0.000	1	114.2750	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	116.8863	0.766	3	116.8863	0.586	3	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	113.1420	0.000	1	113.1420	0.000	1	115.3771	7.168	23	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	117.0085	0.682	2	117.0085	0.466	2	117.0085	0.466	2	115.4169	5.777	31	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	111.8450	0.000	1	111.8450	0.000	1	114.4263	5.190	6	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	116.6240	0.000	1	116.6240	0.000	1	114.4263	5.190	6	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	113.7650	0.000	1	114.9580	2.846	2	114.4263	5.190	6	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.1510	0.000	1	114.9580	2.846	2	114.4263	5.190	6	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|N<2>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	116.4120	0.000	1	116.4120	0.000	1	114.4263	5.190	6	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H){1|O<2>,1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.7610	0.000	1	111.7610	0.000	1	114.4263	5.190	6	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	114.6299	4.615	7	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:2:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a]){4|C<3>,4|H<1>}	114.7035	1.354	2	114.7035	1.834	2	114.7035	1.834	2	114.7035	1.834	2	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	111.4060	0.000	1	111.4060	0.000	1	114.0865	14.370	2	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	116.7670	0.000	1	116.7670	0.000	1	114.0865	14.370	2	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	113.0530	0.000	1	113.0530	0.000	1	113.8965	3.151	4	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	113.2230	0.000	1	113.2230	0.000	1	113.8965	3.151	4	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	114.6550	2.671	2	114.6550	7.137	2	113.8965	3.151	4	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	115.9807	4.704	3	115.9807	22.126	3	114.9940	18.645	4	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	112.0340	0.000	1	112.0340	0.000	1	114.9940	18.645	4	114.3735	9.152	10	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	112.4460	0.000	1	112.4460	0.000	1	111.5535	5.759	4	111.4460	4.377	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	107.9880	0.000	1	107.9880	0.000	1	111.5535	5.759	4	111.4460	4.377	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	112.8900	0.441	2	112.8900	0.195	2	111.5535	5.759	4	111.4460	4.377	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.4460	4.377	5	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.7800	0.000	1	117.0270	6.654	5	115.0174	6.044	12	115.4661	6.444	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	116.8388	2.939	4	117.0270	6.654	5	115.0174	6.044	12	115.4661	6.444	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	113.8724	0.759	5	113.8460	0.465	6	115.0174	6.044	12	115.4661	6.444	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.7140	0.000	1	113.8460	0.465	6	115.0174	6.044	12	115.4661	6.444	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.9980	0.000	1	111.9980	0.000	1	115.0174	6.044	12	115.4661	6.444	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|H<1>,7|C<3>}	118.1580	0.621	2	118.1580	0.385	2	118.1580	0.385	2	115.4661	6.444	14	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:2:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	113.0624	5.436	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	113.0624	5.436	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	3:4:3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	111.9805	1.596	2	113.3882	5.411	4	113.7057	4.214	6	113.0624	5.436	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	3:4:3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	114.7960	2.400	2	113.3882	5.411	4	113.7057	4.214	6	113.0624	5.436	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5,6a]	4:3:3:3:	4:3:3:	3:4:3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	114.3405	1.904	2	114.3405	3.626	2	113.7057	4.214	6	113.0624	5.436	8	112.8748	7.494	1094	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:2:2:	4:3:3:	3:4:2:	C[5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[6a]O[5]2)(N[5a]S[5a])	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2{1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[6a]O[5]2)(N[5a]S[5a]){6|C<3>}	114.7430	0.208	2	114.7430	0.043	2	114.7430	0.043	2	114.7430	0.043	2	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|H<1>,1|S<4>,8|C<3>}	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	111.9220	0.000	1	111.9220	0.000	1	111.5465	0.282	2	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br){1|H<1>,1|N<3>,1|O<1>,1|S<4>,6|C<3>}	111.1710	0.000	1	111.1710	0.000	1	111.5465	0.282	2	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,2|C<4>,8|C<3>}	111.5980	0.000	1	111.5980	0.000	1	111.1870	0.153	3	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|O<1>,3|H<1>,8|C<3>}	110.9815	0.231	2	110.9815	0.053	2	111.1870	0.153	3	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,8|C<3>}	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H)	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	112.2109	1.649	8	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	105.8810	0.000	1	105.8810	0.000	1	105.8810	0.000	1	109.9295	32.781	2	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	C[6a](C[5]C[5a]N[5]2)(C[6a]C[6a]H)2	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	C[6a](C[5]C[5a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<4>,5|C<3>}	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	109.9295	32.781	2	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	0:SP3_SP2_SP2	C[5]	C[6a]	C[5a]	3:3:4:3:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[5]C[5a]C[5]2)(C[6a]C[6a]H)2	C[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	112.0282	6.286	13	113.1337	9.787	2103
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	110.1020	0.696	2	110.1020	0.484	2	109.8053	0.506	3	110.5791	3.464	11	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	109.2120	0.000	1	109.2120	0.000	1	109.8053	0.506	3	110.5791	3.464	11	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	112.5780	0.330	4	112.5780	0.109	4	112.5780	0.109	4	110.5791	3.464	11	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	108.9090	0.086	2	108.9090	0.007	2	108.4437	0.653	3	110.5791	3.464	11	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	107.5130	0.000	1	107.5130	0.000	1	108.4437	0.653	3	110.5791	3.464	11	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){1|Cl<1>,1|C<4>,1|O<2>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	110.5791	3.464	11	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	108.7785	0.316	2	108.7785	0.100	2	109.8670	3.604	3	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,5,6a]C[5,5,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	112.0440	0.000	1	112.0440	0.000	1	109.8670	3.604	3	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,8|C<3>}	111.9780	0.000	1	111.9780	0.000	1	111.1335	1.426	2	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,6|C<3>}	110.2890	0.000	1	110.2890	0.000	1	111.1335	1.426	2	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	108.8900	0.006	2	108.8900	0.000	2	108.6403	0.187	3	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	108.1410	0.000	1	108.1410	0.000	1	108.6403	0.187	3	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	111.5935	1.012	2	111.5935	1.024	2	111.5935	1.024	2	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Cl){1|Cl<1>,1|C<4>,1|O<2>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,8|C<3>}	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.1812	2.030	13	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	111.0105	0.142	2	111.0105	0.020	2	111.0105	0.020	2	111.3727	0.240	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	111.7350	0.417	2	111.7350	0.174	2	111.7350	0.174	2	111.3727	0.240	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	108.1505	0.223	2	108.1505	0.050	2	108.1505	0.050	2	109.3925	2.090	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[6,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	110.6345	0.223	2	110.6345	0.050	2	110.6345	0.050	2	109.3925	2.090	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	110.1145	0.471	2	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){8|C<3>}	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	110.1145	0.471	2	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	112.9260	0.000	1	112.9260	0.000	1	112.9260	0.000	1	110.6454	4.775	5	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	111.6925	1.455	2	111.6925	2.116	2	111.6925	2.116	2	110.6454	4.775	5	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	110.6454	4.775	5	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C){8|C<3>}	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	110.6454	4.775	5	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	108.9280	0.000	1	108.9280	0.000	1	106.7090	1.665	5	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	106.1543	0.410	4	106.1543	0.168	4	106.7090	1.665	5	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	109.4350	0.000	1	109.4350	0.000	1	110.3170	0.705	3	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	111.1070	0.000	1	111.1070	0.000	1	110.3170	0.705	3	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.4090	0.000	1	110.4090	0.000	1	110.3170	0.705	3	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	108.6760	0.607	2	108.6760	0.368	2	108.6760	0.368	2	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.0450	0.000	1	110.0450	0.000	1	110.5530	0.516	2	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	111.0610	0.000	1	111.0610	0.000	1	110.5530	0.516	2	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	110.0850	0.492	4	110.0850	0.242	4	110.0850	0.242	4	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	108.9330	0.000	1	108.9330	0.000	1	109.2655	0.221	2	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a]){8|C<3>}	109.5980	0.000	1	109.5980	0.000	1	109.2655	0.221	2	109.0658	3.500	24	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	111.3060	0.000	1	111.3060	0.000	1	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.0095	0.467	2	111.0095	0.218	2	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	110.3970	0.000	1	110.3970	0.000	1	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.1450	0.451	3	111.1450	0.204	3	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	111.0006	0.413	5	111.0006	0.170	5	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Cl<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	111.2330	0.000	1	111.2330	0.000	1	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	109.3490	0.360	4	109.3490	0.130	4	110.6346	0.682	17	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	109.1750	0.771	2	109.1750	0.594	2	108.9707	0.266	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	108.6120	0.000	1	108.6120	0.000	1	108.9707	0.266	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	109.4480	0.000	1	109.4480	0.000	1	108.9707	0.266	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.9865	0.577	6	108.9865	0.333	6	108.9707	0.266	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.9707	0.266	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Cl<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.5440	0.000	1	108.5440	0.000	1	108.9707	0.266	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	109.5190	0.000	1	109.5190	0.000	1	109.3400	1.681	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	106.9680	0.000	1	107.1655	0.078	2	109.3400	1.681	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	107.3630	0.000	1	107.1655	0.078	2	109.3400	1.681	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	109.6250	0.000	1	109.6250	0.000	1	109.3400	1.681	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	109.8256	0.997	8	109.8256	0.993	8	109.3400	1.681	12	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	108.4840	0.373	2	108.4840	0.139	2	108.5660	0.090	3	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.7300	0.000	1	108.7300	0.000	1	108.5660	0.090	3	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	110.4467	0.163	4	110.4467	0.026	4	110.4467	0.026	4	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	110.9973	0.422	3	110.9973	0.178	3	110.7207	0.425	4	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	109.8910	0.000	1	109.8910	0.000	1	110.7207	0.425	4	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	108.9657	0.236	3	108.9657	0.056	3	108.9657	0.056	3	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	112.1600	0.069	2	112.1600	0.005	2	112.1600	0.005	2	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.8263	1.624	63	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	109.9297	1.428	3	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.9297	1.428	3	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	109.9297	1.428	3	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,6|C<3>}	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	109.2502	2.964	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[3x6]){2|C<4>,7|C<3>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.2502	2.964	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	109.2502	2.964	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	109.2502	2.964	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	108.5823	3.922	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	108.5823	3.922	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,8|C<3>}	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.5823	3.922	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	108.5823	3.922	4	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl){1|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	105.3670	23.011	2	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){2|Cl<1>,1|C<4>,7|C<3>}	101.9750	0.000	1	101.9750	0.000	1	101.9750	0.000	1	105.3670	23.011	2	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	106.8065	0.415	2	106.8065	0.172	2	106.8065	0.172	2	106.8065	0.172	2	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6]){3|Cl<1>,1|C<4>,7|C<3>}	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6a]	4:3:3:1:	3:4:3:	3:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl){1|C<4>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,8|C<3>}	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	109.6976	2.905	146	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|S<2>,9|C<3>}	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	106.1735	0.059	2	106.8360	2.146	10	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	106.1735	0.059	2	106.8360	2.146	10	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	105.8110	0.000	1	106.1827	0.378	6	106.1827	0.378	6	106.1827	0.378	6	106.8360	2.146	10	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	106.0093	0.690	3	106.1827	0.378	6	106.1827	0.378	6	106.1827	0.378	6	106.8360	2.146	10	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){3|H<1>,5|C<3>}	106.6285	0.556	2	106.1827	0.378	6	106.1827	0.378	6	106.1827	0.378	6	106.8360	2.146	10	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,4|C<3>}	109.4585	0.412	2	109.4585	0.170	2	109.4585	0.170	2	109.4585	0.170	2	106.8360	2.146	10	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a])	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,8|C<3>}	111.5865	0.660	2	111.5865	0.435	2	111.5865	0.435	2	111.5865	0.435	2	107.8549	6.958	7	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	106.3622	0.580	5	107.8549	6.958	7	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	106.4880	0.000	1	106.4880	0.000	1	106.1363	0.433	4	106.3622	0.580	5	107.8549	6.958	7	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	105.7030	0.731	2	106.0190	0.567	3	106.1363	0.433	4	106.3622	0.580	5	107.8549	6.958	7	109.4429	3.564	163
474	643	727	6:SP3_SP2_SP2	C[5,6]	C[6,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	106.6510	0.000	1	106.0190	0.567	3	106.1363	0.433	4	106.3622	0.580	5	107.8549	6.958	7	109.4429	3.564	163