474	813	956	0:SP3_SP2_SP2	C[5]	N[5a]	N	3:3:3:3:	3:4:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	109.4667	6.068	3	109.4667	6.068	3
474	813	956	0:SP3_SP2_SP2	C[5]	N[5a]	N	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	106.6430	0.000	1	108.6120	7.754	2	108.6120	7.754	2	108.6120	7.754	2	109.4667	6.068	3	109.4667	6.068	3
474	813	956	0:SP3_SP2_SP2	C[5]	N[5a]	N	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	110.5810	0.000	1	108.6120	7.754	2	108.6120	7.754	2	108.6120	7.754	2	109.4667	6.068	3	109.4667	6.068	3
474	813	956	0:SP3_SP2_SP3	C[5]	N[5,5a]	N	3:4:3:1:	3:3:4:	4:4:4:	N[5,5a]-3:C[5]-4:N-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C-4:C-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN)	N(C[5]N[5,5a]C[5]H)(CH3)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN){1|C<4>,3|H<1>,4|C<3>}	N(C[5]N[5,5a]C[5]H)(CH3)2	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1
474	813	959	5:SP3_SP2_SP3	C[5]	N[5,5a]	S[5]	3:4:1:1:	3:4:2:	4:4:1:1:	N[5,5a]-3:S[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	S[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(O)2	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(O)2{1|C<3>,1|N<2>}	99.5395	0.000	1	99.5395	0.000	1	99.5395	0.000	1	99.5395	0.000	1	99.5395	0.000	1	99.5395	0.000	1
474	813	960	0:SP3_SP2_SP2	C[5,5]	N[5,5a]	N[5]	3:3:2:2:	3:4:3:	4:3:	C[5,6a]-3:N[5,5a]-3:N[5]-2:N[5]-2:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(N[5]C[5])2	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	N[5](C[5,5]C[5,6a]N[5,5a]N[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(N[5]C[5])2{1|H<1>,1|N<2>,6|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	N[5](C[5,5]C[5,6a]N[5,5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	112.2235	1.542	2	112.2235	2.378	2	112.2235	2.378	2	112.2235	2.378	2	112.2235	2.378	2	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:3:3:2:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	N[5](C[5,6]N[5a,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	N[5](C[5,6]N[5a,6]C[5,6]C[5])(C[5]N[5]O){2|N<3>,3|C<3>}	112.9455	0.125	2	112.9455	0.016	2	112.9455	0.016	2	112.9455	0.016	2	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	111.4512	0.399	5	110.9166	0.784	10	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	110.1893	0.286	3	110.9166	0.784	10	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	111.9200	0.000	1	110.9166	0.784	10	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	109.4220	0.000	1	110.9166	0.784	10	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	110.1548	0.814	9	109.7496	0.582	16	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	109.2360	0.121	4	109.7496	0.582	16	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	109.2590	0.000	2	109.7496	0.582	16	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	N[5]	3:4:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]H)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	109.1380	0.000	1	109.7496	0.582	16	110.1984	0.967	26	110.1984	0.967	26	110.3946	1.415	28	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	3:4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5a]N[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5a]N[5]){7|C<3>}	109.1595	1.477	2	109.1595	2.182	2	109.1595	2.182	2	109.1595	2.182	2	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	109.5572	1.425	12	109.3439	1.994	34	109.3439	1.994	34	109.3834	1.918	36	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	108.8614	1.631	10	109.3439	1.994	34	109.3439	1.994	34	109.3834	1.918	36	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	109.2812	1.907	4	109.3439	1.994	34	109.3439	1.994	34	109.3834	1.918	36	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|F<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	109.3215	0.879	2	109.3439	1.994	34	109.3439	1.994	34	109.3834	1.918	36	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	109.7708	0.880	6	109.3439	1.994	34	109.3439	1.994	34	109.3834	1.918	36	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:2:	3:3:4:	4:3:	N[5a]-3:C[6]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	N[5](C[5]N[5a]C[6]N[5])(C[5]C[6a]C[5])	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	N[5](C[5]N[5a]C[6]N[5])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	110.0545	0.599	2	110.0545	0.359	2	110.0545	0.359	2	109.3834	1.918	36	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	112.5760	0.000	1	110.9965	4.990	2	110.9965	4.990	2	110.9965	4.990	2	109.4529	2.036	40	109.9087	2.111	70
474	813	960	0:SP3_SP2_SP2	C[5]	N[5a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	109.4170	0.000	1	110.9965	4.990	2	110.9965	4.990	2	110.9965	4.990	2	109.4529	2.036	40	109.9087	2.111	70
474	813	976	0:SP3_SP2_SP2	C[5,6]	N[5a,6]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5,6]-4:N[5a,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	O[5](C[5,6]C[5,5,6]N[5a,6]H)(C[5]N[5]N)	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	O[5](C[5,6]C[5,5,6]N[5a,6]H)(C[5]N[5]N){1|C<4>,1|N<3>,2|C<3>}	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	108.5302	0.632	4
474	813	976	0:SP3_SP2_SP2	C[5]	N[5a]	O[5]	3:3:2:1:	3:4:3:	4:3:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	O[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	O[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]O){4|C<3>}	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	108.5820	0.932	3	108.5302	0.632	4
474	813	976	0:SP3_SP2_SP2	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	108.5820	0.932	3	108.5302	0.632	4
474	813	976	0:SP3_SP2_SP2	C[5]	N[5a]	O[5]	3:4:4:2:	3:4:2:	4:3:	N[5a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-3:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a])	O[5](C[5]N[5a]C[5]2)(C[5]O[5]S)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,1|S<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O[5](C[5]N[5a]C[5]2)(C[5]O[5]S){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	108.5820	0.932	3	108.5302	0.632	4
474	813	976	0:SP3_SP2_SP3	C[5,5]	N[5,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.6540	0.000	1	112.6540	0.000	1	112.7555	0.021	2	112.7555	0.021	2	112.7555	0.021	2	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5,5]	N[5,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	112.8570	0.000	1	112.8570	0.000	1	112.7555	0.021	2	112.7555	0.021	2	112.7555	0.021	2	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5,6]	N[5a,6]	O[5]	3:4:4:2:	4:3:2:	4:4:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6]-4:C[5]-4:	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH)	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){2|C<4>,2|O<2>,6|H<1>}	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH){1|C<3>,1|N<2>,3|O<2>,4|H<1>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5,6]	N[5a]	O[5,6]	4:3:2:1:	4:3:2:	4:4:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H){1|C<3>,1|N<2>,2|O<2>,4|H<1>}	111.3620	1.113	2	111.3620	1.239	2	111.3620	1.239	2	111.3620	1.239	2	111.3620	1.239	2	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:3:4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	107.0935	0.609	2	107.0935	0.371	2	107.0935	0.371	2	108.0379	0.687	20	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:3:4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|H<1>}	108.4873	0.517	6	108.1891	0.628	17	108.1428	0.630	18	108.0379	0.687	20	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:3:4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.0265	0.888	11	108.1891	0.628	17	108.1428	0.630	18	108.0379	0.687	20	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:3:4:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.3550	0.000	1	107.3550	0.000	1	108.1428	0.630	18	108.0379	0.687	20	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	111.2810	0.000	1	111.2810	0.000	1	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	108.9110	0.000	1	108.9110	0.000	1	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	108.4680	0.000	1	108.4680	0.000	1	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	110.3045	0.491	2	109.9954	0.413	8	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	111.0540	0.000	1	109.9954	0.413	8	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.6060	0.490	4	109.9954	0.413	8	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.8760	0.000	1	109.9954	0.413	8	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.7480	0.000	1	110.7480	0.000	1	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.9620	0.000	1	109.0810	0.612	4	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.7873	0.633	3	109.0810	0.612	4	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC)	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	111.5060	0.508	2	111.5060	0.258	2	109.9282	1.091	18	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.0320	0.000	1	109.0320	0.000	1	108.8865	0.102	4	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.4300	0.000	1	108.8380	0.139	3	108.8865	0.102	4	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.0420	0.170	2	108.8380	0.139	3	108.8865	0.102	4	109.7388	1.067	22	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	107.1030	0.000	1	107.1030	0.000	1	108.6533	2.069	3	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	108.9120	0.000	1	109.4285	0.534	2	108.6533	2.069	3	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	109.9450	0.000	1	109.4285	0.534	2	108.6533	2.069	3	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.9190	1.368	2	107.9190	1.870	2	107.9857	1.158	8	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8960	0.000	1	108.0080	1.245	6	107.9857	1.158	8	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.0820	0.587	3	108.0080	1.245	6	107.9857	1.158	8	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.9530	0.624	2	108.0080	1.245	6	107.9857	1.158	8	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[3,5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.2370	0.000	1	109.2370	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	107.2390	0.000	1	107.7805	0.586	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.3220	0.000	1	107.7805	0.586	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.2390	0.000	1	109.2390	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	109.0730	0.000	1	109.0730	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	106.0140	0.000	1	106.0140	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.4160	0.000	1	108.4160	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.8570	0.000	1	109.0175	1.410	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.1780	0.000	1	109.0175	1.410	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.5510	0.000	1	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.2195	0.066	2	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.9200	0.000	1	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.6490	0.000	1	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.7510	0.000	1	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.3274	0.494	7	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.8650	0.000	1	108.5334	0.392	14	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|I<1>,2|C<3>,3|H<1>}	107.8740	0.000	1	108.3638	0.944	10	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.4182	1.014	9	108.3638	0.944	10	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	108.2370	0.000	1	108.7445	0.515	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.2520	0.000	1	108.7445	0.515	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	106.8880	0.000	1	106.8880	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.5340	0.000	1	109.1395	5.155	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.7450	0.000	1	109.1395	5.155	2	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.1420	0.000	1	108.1420	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.3950	0.000	1	108.3950	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.7530	0.000	1	109.7530	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.0420	0.000	1	109.8473	0.035	3	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.8340	0.000	1	109.8473	0.035	3	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.6660	0.000	1	109.8473	0.035	3	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3160	0.000	1	109.3160	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.6126	1.105	14	108.5766	1.153	15	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.0720	0.000	1	108.5766	1.153	15	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	108.1780	0.000	1	108.1780	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.4780	0.000	1	109.4780	0.000	1	108.5934	0.964	62	108.4823	1.043	78	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.2177	2.190	4	109.2177	4.796	4	108.8617	3.054	9	108.8617	3.054	9	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.4070	0.000	1	110.4070	0.000	1	108.8617	3.054	9	108.8617	3.054	9	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	107.8640	0.000	1	107.8640	0.000	1	108.8617	3.054	9	108.8617	3.054	9	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.2043	1.559	3	108.2043	2.429	3	108.8617	3.054	9	108.8617	3.054	9	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.0370	0.000	1	108.0370	0.000	1	109.1963	2.195	4	109.1963	2.195	4	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.6955	0.267	2	108.6955	0.071	2	109.1963	2.195	4	109.1963	2.195	4	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.3570	0.000	1	111.3570	0.000	1	109.1963	2.195	4	109.1963	2.195	4	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	111.1383	0.125	3	111.1383	0.016	3	111.1383	0.016	3	110.3465	2.518	4	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	110.3465	2.518	4	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP2_SP3	C[5]	N[5a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.7081	1.476	139	108.8048	1.754	144
474	813	976	0:SP3_SP3_SP3	C[5]	N[5a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5,6]-4:C[5]-4:	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1
474	813	976	5:SP3_SP2_SP2	C[5]	N[5,5a]	O[5]	3:2:4:1:	3:3:4:	4:3:	N[5,5a]-3:O[5]-2:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O){2|C<3>}	103.6270	0.000	1	103.6270	0.000	1	103.6270	0.000	1	103.6270	0.000	1	103.6270	0.000	1	103.6270	0.000	1
474	813	976	5:SP3_SP2_SP3	C[5,6]	N[5,5a]	O[5,6]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2{5|C<3>}	101.8920	0.000	1	101.8920	0.000	1	101.8920	0.000	1	101.8920	0.000	1	101.8920	0.000	1	101.6535	0.114	2
474	813	976	5:SP3_SP2_SP3	C[5]	N[5,5a]	O[5]	3:2:3:1:	3:3:4:	4:4:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH){2|C<3>}	101.4150	0.000	1	101.4150	0.000	1	101.4150	0.000	1	101.4150	0.000	1	101.4150	0.000	1	101.6535	0.114	2
474	813	976	6:SP3_SP2_SP3	C[5,6]	N[5a,6]	O[5,6]	3:4:2:1:	3:4:3:	4:4:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6])	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,2|O<2>,4|H<1>}	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1
474	813	997	0:SP3_SP2_SP3	C[5]	N[5a]	Se[5]	3:4:2:1:	3:4:3:	4:4:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	Se[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	Se[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.8105	0.301	2	111.8105	0.090	2	111.8105	0.090	2	111.8105	0.090	2	111.8105	0.090	2	111.8105	0.090	2
474	818	818	0:SP3_SP2_SP2	C[3x5,6]	C[5,6]	C[5,6]	4:3:2:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	127.7070	0.000	1	127.7070	0.000	1	127.7070	0.000	1	127.7070	0.000	1	127.7070	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:3:2:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[3x5]-4:O-1:	C[3x5]-4:C[5]-3:C-2:	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O){1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	112.2530	0.404	2	112.2530	0.164	2	112.2530	0.164	2	112.2530	0.164	2	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:3:3:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[3x5]-4:O-1:	C[3x5]-4:C[5]-3:C-3:	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O){1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	113.9420	0.000	1	113.8570	0.014	2	113.8570	0.014	2	113.8570	0.014	2	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:3:3:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[3x5]-4:O-1:	C[3x5]-4:C[5]-3:C-3:	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O){1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|O<1>,1|O<2>,4|C<3>}	113.7720	0.000	1	113.8570	0.014	2	113.8570	0.014	2	113.8570	0.014	2	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:3:2:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:C-2:	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	120.2530	0.000	1	120.4825	0.105	2	120.4825	0.105	2	120.4825	0.105	2	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:3:2:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:C-2:	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN)	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	120.7120	0.000	1	120.4825	0.105	2	120.4825	0.105	2	120.4825	0.105	2	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[3x5]-4:C[5]-4:C[5]-3:C[5]-3:	C[3x5]-4:C[5]-3:H-1:	C[3x5]-4:C[5]-3:O-1:	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]C)(H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(O)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(O){1|C<3>,2|H<1>,4|C<4>}	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[3x5]-4:O-1:	C[3x5]-4:N[5]-3:O-1:	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	111.9720	0.000	1	113.7480	2.419	3	113.3955	2.110	4	113.3955	2.110	4	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[3x5]-4:O-1:	C[3x5]-4:N[5]-3:O-1:	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	114.6360	0.328	2	113.7480	2.419	3	113.3955	2.110	4	113.3955	2.110	4	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[3x5]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[3x5]-4:O-1:	C[3x5]-4:N[5]-3:O-1:	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]H)(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]H)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	112.3380	0.000	1	112.3380	0.000	1	113.3955	2.110	4	113.3955	2.110	4	114.7261	9.395	11	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6]	C[5]	4:3:4:3:	4:4:1:	4:2:1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<2>,2|O<1>,5|C<4>}	C[5](C[5,5,6,6]C[3x5,6,6]C[5,6]C[6])(O[5]C[5])(O){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	111.8670	8.331	2	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6]	C[5]	4:4:3:3:	4:4:3:	4:2:1:	C[5,5,6]-4:C[3x6]-4:C[5,6]-3:C[5]-3:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O)	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5,6,6]C[5,5,6]C[3x6]C[5,6])(O[5]C[5])(O)	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6]C[3x6]C[5,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	111.8670	8.331	2	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5]	3:4:3:3:	4:3:4:	4:4:1:	C[5,6,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O)	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O){3|H<1>,7|C<4>}	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<1>,1|O<2>,8|C<4>}	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	3:3:3:3:	4:4:3:	4:3:1:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	3:4:4:3:	4:4:3:	4:2:1:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|H<1>,6|C<4>}	107.9640	1.894	2	107.9640	3.586	2	107.9640	3.586	2	107.9640	3.586	2	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	110.5430	0.000	1	110.1587	0.108	4	110.1587	0.108	4	110.1587	0.108	4	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	109.9510	0.000	1	110.1587	0.108	4	110.1587	0.108	4	110.1587	0.108	4	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	110.3130	0.000	1	110.1587	0.108	4	110.1587	0.108	4	110.1587	0.108	4	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	109.8280	0.000	1	110.1587	0.108	4	110.1587	0.108	4	110.1587	0.108	4	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:4:3:3:	4:4:3:	4:4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5]-4:O-1:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH)	C[5](C[5,5,6]C[5,6]3)(C[5]C[5]HH)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,6]3)(C[5]C[5]HH)(O){2|C<3>,2|H<1>,5|C<4>}	121.5320	0.199	2	121.5320	0.040	2	121.5320	0.040	2	121.5320	0.040	2	113.0088	31.209	10	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5,6]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	3:4:3:3:	4:4:1:	4:2:1:	C[5,6,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O)	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O)	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(O[5]C[5,6])(O)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O){3|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<1>,1|O<2>,8|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(O[5]C[5,6])(O){1|O<1>,6|C<4>}	104.9160	0.000	1	104.9160	0.000	1	104.9160	0.000	1	104.9160	0.000	1	108.4653	25.590	6	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:2:3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-2:C-3:	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5])(CCC)	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5])(CCC){2|C<4>,5|C<3>}	115.0010	0.000	1	115.0010	0.000	1	115.0010	0.000	1	115.0010	0.000	1	108.4653	25.590	6	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:O-1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	103.4340	0.000	1	103.4340	0.000	1	103.4340	0.000	1	103.4340	0.000	1	108.4653	25.590	6	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H){4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(O){1|C<3>,4|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H){1|O<1>,3|H<1>,5|C<4>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	109.1470	22.965	3	108.4653	25.590	6	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]H)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	105.0420	0.000	1	105.0420	0.000	1	106.5140	4.334	2	109.1470	22.965	3	108.4653	25.590	6	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	107.9860	0.000	1	107.9860	0.000	1	106.5140	4.334	2	109.1470	22.965	3	108.4653	25.590	6	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<4>,8|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:3:	4:4:2:	4:3:1:	N[5,5]-3:C[5,5]-3:C[5]-3:C[6a]-3:	C[3x5]-4:C[5,5]-4:N[5]-2:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5])	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	111.6870	1.257	2	111.6870	1.581	2	111.6870	1.581	2	111.6870	1.581	2	112.3053	1.937	3	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	112.3053	1.937	3	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	111.2430	0.675	2	111.2430	0.455	2	111.2430	0.455	2	111.2430	0.455	2	111.3710	0.845	8	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5]	3:4:3:3:	3:3:4:	4:2:1:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5,5]-4:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3)	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	111.3710	0.845	8	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5]	3:4:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5,5]-4:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	111.3710	0.845	8	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	111.0740	0.000	1	111.0740	0.000	1	110.7590	0.046	4	110.7590	0.046	4	111.3710	0.845	8	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	110.7120	0.000	1	110.6540	0.003	3	110.7590	0.046	4	110.7590	0.046	4	111.3710	0.845	8	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	110.6250	0.037	2	110.6540	0.003	3	110.7590	0.046	4	110.7590	0.046	4	111.3710	0.845	8	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:2:3:2:	4:4:3:	4:4:1:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(O){1|C<3>,4|C<4>}	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:2:3:3:	3:4:1:	4:3:2:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN){1|O<1>,4|C<3>}	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:2:3:3:	3:4:1:	4:3:3:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:2:4:3:	3:4:1:	4:3:1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:2:4:3:	3:4:1:	4:3:3:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5]C[5]H)2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H)	C[5,5](C[5]C[5]H)2(O[5]C[5])2{2|Br<1>,4|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]Br)(H){1|C<4>,1|H<1>,3|C<3>}	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:2:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5]C[5]C)2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO)	C[5,5](C[5]C[5]C)2(O[5]C[5])2{2|C<3>,2|N<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO){1|N<2>,3|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO){1|N<2>,3|C<3>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:3:	3:4:4:	4:3:1:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,5|C<3>}	108.8917	0.616	3	108.8917	0.379	3	108.8917	0.379	3	108.8917	0.379	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:3:	3:4:4:	4:3:2:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	116.2620	2.079	3	116.2620	4.320	3	116.2620	4.320	3	116.2620	4.320	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	112.9765	0.346	2	112.9765	0.120	2	112.9765	0.120	2	112.9765	0.120	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	N[3x5]-3:C[5]-3:C[5]-3:Br-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br)	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br){2|Br<1>,2|Cl<1>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	118.0318	0.827	5	118.0318	0.684	5	118.0318	0.684	5	117.1021	1.267	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	N[3x5]-3:C[5]-3:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl)	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl){4|Cl<1>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>}	117.2020	0.767	6	117.2020	0.589	6	117.2020	0.589	6	117.1021	1.267	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:Br-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(Br)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(Br){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(O){1|Br<1>,1|C<3>,2|C<4>}	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	117.1021	1.267	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H){2|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	115.5573	0.263	3	115.5573	0.069	3	115.5573	0.069	3	117.1021	1.267	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:2:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:2:4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	112.2814	11.963	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	109.6525	1.196	2	109.8613	0.846	3	109.8613	0.846	3	112.2814	11.963	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	110.2790	0.000	1	109.8613	0.846	3	109.8613	0.846	3	112.2814	11.963	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|H<1>,5|C<3>}	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	112.2814	11.963	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O){1|C<3>,1|H<1>,2|C<4>}	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	112.2814	11.963	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	N[3x5]-3:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:Br-1:	C[5,5]-4:C[5]-3:Br-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH){2|C<4>,4|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	117.0165	0.622	2	117.0165	0.386	2	117.0165	0.386	2	112.2814	11.963	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	112.4340	0.000	1	112.4703	0.224	3	113.4450	1.931	5	113.0731	1.948	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	112.0160	0.000	1	112.4703	0.224	3	113.4450	1.931	5	113.0731	1.948	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	112.9610	0.000	1	112.4703	0.224	3	113.4450	1.931	5	113.0731	1.948	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){5|C<3>}	114.9070	0.387	2	114.9070	0.150	2	113.4450	1.931	5	113.0731	1.948	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	113.0731	1.948	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	113.2750	0.136	2	113.2750	0.018	2	113.2750	0.018	2	113.0731	1.948	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:4:3:	4:4:1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:2:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	109.3525	3.801	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:2:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	109.3525	3.801	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	115.1420	14.119	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	115.1420	14.119	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:2:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]Ga[5]H)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a]){1|Ga<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]Ga[5]H)(H){1|Ga<3>,1|N<2>,4|C<3>}	103.4245	1.552	2	103.4245	2.409	2	103.4245	2.409	2	103.4245	2.409	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,7|C<3>}	110.2722	1.950	4	111.9560	9.107	6	111.9560	9.107	6	111.9560	9.107	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,6|C<3>}	115.3235	0.323	2	111.9560	9.107	6	111.9560	9.107	6	111.9560	9.107	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	4:2:4:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,5|C<3>}	111.1395	5.733	2	111.1395	32.862	2	111.1395	32.862	2	111.1395	32.862	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|C<4>,1|O<1>,4|C<3>}	110.0025	0.848	2	110.0025	0.719	2	110.0025	0.719	2	113.4743	10.822	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	115.2103	2.397	4	115.2103	5.743	4	115.2103	5.743	4	113.4743	10.822	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O){1|H<1>,5|C<3>}	111.3140	2.137	2	111.3140	4.566	2	111.3140	4.566	2	111.3140	4.566	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:2:2:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,2|N<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(CN){1|N<3>,1|O<1>,3|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	110.2260	0.000	1	110.2260	0.000	1	109.4788	1.233	4	109.7743	1.759	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	109.2297	1.215	3	109.2297	1.477	3	109.4788	1.233	4	109.7743	1.759	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H){1|C<4>,1|O<1>,6|C<3>}	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	109.7743	1.759	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,4|C<3>}	108.1980	0.000	1	108.1980	0.000	1	109.5110	3.448	2	109.7743	1.759	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|O<1>,1|S<4>,4|C<3>}	110.8240	0.000	1	110.8240	0.000	1	109.5110	3.448	2	109.7743	1.759	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,2|N<2>,3|C<3>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){7|C<3>}	107.9550	1.432	3	107.9550	2.051	3	110.7793	10.634	6	110.7793	10.634	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){7|C<3>}	113.6037	0.777	3	113.6037	0.603	3	110.7793	10.634	6	110.7793	10.634	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-2:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(I){1|I<1>,5|C<3>}	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	113.7240	15.646	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O){2|O<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5,6a])(O){6|C<3>}	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	113.7240	15.646	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S){6|C<3>}	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){6|C<3>}	111.0270	0.000	1	111.0270	0.000	1	111.5060	0.459	2	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){6|C<3>}	111.9850	0.000	1	111.9850	0.000	1	111.5060	0.459	2	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,6|C<3>}	115.0760	0.000	1	115.0760	0.000	1	115.0760	0.000	1	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	109.7610	0.000	1	109.7610	0.000	1	108.9688	3.194	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	111.4720	0.000	1	108.7707	3.998	4	108.9688	3.194	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	107.8703	1.064	3	108.7707	3.998	4	108.9688	3.194	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	114.1300	0.000	1	112.0470	8.678	2	112.5556	3.319	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	109.9640	0.000	1	112.0470	8.678	2	112.5556	3.319	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	111.9780	0.000	1	111.9780	0.000	1	112.5556	3.319	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	113.3530	1.574	2	113.3530	2.478	2	112.5556	3.319	5	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	110.9100	0.000	1	110.9100	0.000	1	109.6905	2.974	2	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]N)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	108.4710	0.000	1	108.4710	0.000	1	109.6905	2.974	2	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O){8|C<3>}	125.7220	0.000	1	125.7220	0.000	1	125.7220	0.000	1	112.2611	18.916	18	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	111.2213	0.671	3	111.2213	0.450	3	115.6787	24.040	6	115.6787	24.040	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	120.1360	0.215	3	120.1360	0.046	3	115.6787	24.040	6	115.6787	24.040	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO){1|I<1>,4|C<3>}	115.4710	0.000	1	115.4710	0.000	1	115.4710	0.000	1	118.6225	19.864	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	118.6225	19.864	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:4:	3:4:1:	4:3:1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O){1|Cl<1>,1|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	118.8015	0.230	2	118.8015	0.053	2	118.8015	0.053	2	118.8015	0.053	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,5|C<3>,5|H<1>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)2(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)2(O){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	107.1180	0.975	4	107.1180	0.951	4	107.1180	0.951	4	107.1180	0.951	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	112.0160	0.272	2	114.3648	7.774	4	114.3648	7.774	4	114.3648	7.774	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.7135	1.087	2	114.3648	7.774	4	114.3648	7.774	4	114.3648	7.774	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(H){2|H<1>,5|C<3>}	113.4555	0.103	2	113.4555	0.011	2	113.4555	0.011	2	113.4555	0.011	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:3:	4:4:1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){4|C<3>,4|H<1>}	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:2:3:	4:4:1:	4:2:1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[4,5]-4:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,2|H<1>,4|C<4>}	107.7280	0.000	1	108.2250	0.494	2	108.2250	0.494	2	108.2250	0.494	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:2:3:	4:4:1:	4:2:1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[4,5]-4:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	108.7220	0.000	1	108.2250	0.494	2	108.2250	0.494	2	108.2250	0.494	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:2:3:	4:4:1:	4:3:4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.9920	1.330	3	113.9920	1.768	3	113.9920	1.768	3	113.9920	1.768	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:1:	4:3:2:	4:3:1:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:2:	4:3:3:	4:3:3:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){3|C<3>,4|O<2>}	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	3:4:1:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|O<1>,2|H<1>,4|C<3>}	107.1680	0.000	2	107.1680	0.000	2	107.1680	0.000	2	107.1680	0.000	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	3:4:1:	4:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:2:1:	4:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	107.6570	0.000	2	107.6570	0.000	2	107.6570	0.000	2	107.6570	0.000	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:2:4:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	108.3310	0.103	2	108.3310	0.011	2	108.2535	4.833	8	108.2535	4.833	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.2277	2.600	6	108.2277	6.760	6	108.2535	4.833	8	108.2535	4.833	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:2:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:O-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.6005	1.340	2	111.6005	1.796	2	111.6005	1.796	2	111.2903	1.186	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:2:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:S-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5])(SC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5])(SC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	111.2903	1.186	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:2:4:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	114.0320	0.000	1	114.0320	0.000	1	109.8447	13.810	3	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	107.7510	1.148	2	107.7510	1.319	2	109.8447	13.810	3	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:I-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|H<1>,4|C<3>}	108.6905	0.066	2	108.6905	0.004	2	108.6905	0.004	2	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	108.7195	0.619	2	108.7195	0.383	2	108.1485	0.577	4	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	107.4270	0.000	1	107.4270	0.000	1	108.1485	0.577	4	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.7280	0.000	1	107.7280	0.000	1	108.1485	0.577	4	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.2420	0.000	1	106.2420	0.000	1	109.1547	21.417	3	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	114.4910	0.000	1	114.4910	0.000	1	109.1547	21.417	3	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.7310	0.000	1	106.7310	0.000	1	109.1547	21.417	3	108.9927	6.653	14	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]H)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]H)(CN){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	112.2150	0.000	1	112.2150	0.000	1	111.1472	0.453	5	111.1472	0.453	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]N)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]N)(CN){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.8803	0.359	4	110.8803	0.129	4	111.1472	0.453	5	111.1472	0.453	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	107.4085	3.820	2	107.4085	14.596	2	107.4085	14.596	2	107.4085	14.596	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:4:2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	3:4:1:	C[5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,1|N<2>,2|C<2>,4|C<3>}	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:2:1:	C[5]-3:C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]O[5]O)(COO)	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]O[5]O)(COO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:2:3:	C[5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5])(COO)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(COO){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|C<3>}	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<2>,1|C<4>,5|C<3>}	110.7840	0.000	1	110.7840	0.000	1	110.6660	0.028	2	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	110.5480	0.000	1	110.5480	0.000	1	110.6660	0.028	2	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	112.1925	0.595	2	112.1925	0.354	2	112.3986	6.019	8	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	113.4200	0.000	1	113.4200	0.000	1	112.3986	6.019	8	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,5|C<3>}	113.2200	0.000	1	113.2200	0.000	1	112.3986	6.019	8	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|O<2>,5|C<3>}	110.5920	0.380	2	110.5920	0.145	2	112.3986	6.019	8	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	109.5580	0.000	1	113.4900	30.921	2	112.3986	6.019	8	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	117.4220	0.000	1	113.4900	30.921	2	112.3986	6.019	8	112.0521	5.218	10	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|C<4>,2|H<1>,6|C<3>}	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	110.1520	1.208	2	111.6990	7.909	3	111.2428	6.260	6	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	114.7930	0.000	1	111.6990	7.909	3	111.2428	6.260	6	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	109.1850	0.000	1	109.1850	0.000	1	111.2428	6.260	6	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	109.3090	0.000	1	109.3090	0.000	1	111.2428	6.260	6	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,6|C<3>}	113.8660	0.000	1	113.8660	0.000	1	111.2428	6.260	6	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	113.1740	0.000	1	114.1495	1.903	2	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	115.1250	0.000	1	114.1495	1.903	2	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	108.8320	0.000	1	108.8320	0.000	1	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	113.8890	0.000	1	113.8890	0.000	1	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	114.3510	2.366	2	113.6947	4.091	3	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	112.3820	0.000	1	113.6947	4.091	3	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	114.9140	0.000	1	114.9140	0.000	1	113.3773	4.980	8	112.4256	5.862	15	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:4:	4:3:3:	4:3:4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	81.2721	18.156	2	81.2721	329.652	2	82.1227	112.085	4	82.1227	112.085	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:4:	4:3:3:	4:3:4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	82.9734	1.926	2	82.9734	3.710	2	82.1227	112.085	4	82.1227	112.085	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:4:3:	3:4:4:	4:2:4:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5,5]-4:C[3]-4:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H)	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3)	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:2:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O){1|O<1>,2|H<1>,3|C<3>}	114.0097	1.007	3	114.0097	1.014	3	114.0097	1.014	3	114.0097	1.014	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:2:3:	3:4:1:	4:3:3:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(COO){1|O<1>,3|C<3>,3|H<1>}	117.5215	1.849	2	117.5215	3.419	2	117.5215	3.419	2	117.5215	3.419	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	3:4:3:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,4|C<3>}	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:2:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)2(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]O[5]O)2(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.0480	0.786	2	108.0480	0.618	2	108.0480	0.618	2	108.9310	2.648	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)2(H){1|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	108.9310	2.648	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:2:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:2:3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(COO)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)2(H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	112.1170	0.000	1	112.1170	0.000	1	111.4300	0.370	3	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	111.2150	0.000	1	111.2150	0.000	1	111.4300	0.370	3	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]C[5]O)(H){1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){1|C<3>,1|C<4>,3|H<1>}	110.9580	0.000	1	110.9580	0.000	1	111.4300	0.370	3	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.1280	0.832	3	113.1280	0.693	3	113.1280	0.693	3	112.1456	1.940	9	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:2:	4:2:1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	112.7435	0.624	2	112.7435	0.390	2	112.7435	0.390	2	112.7435	0.390	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]S[5])(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]S[5])(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	114.9252	1.073	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<2>,2|C<3>,3|H<1>}	114.7377	0.641	3	114.7377	0.411	3	114.7377	0.411	3	114.9252	1.073	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	115.9520	0.328	2	115.9520	0.108	2	115.9520	0.108	2	114.9252	1.073	6	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:3:	4:3:2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H){1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])(COO){1|C<2>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CN){1|O<2>,3|C<3>}	116.8600	0.102	2	116.8600	0.010	2	116.8600	0.010	2	116.8600	0.010	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:3:4:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-3:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]O)(C[5]O[5]O)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O){1|H<1>,1|O<1>,4|C<4>}	109.5000	1.704	2	109.5000	2.904	2	109.5000	2.904	2	109.7490	6.344	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(O){1|O<1>,2|H<1>,3|C<4>}	106.0670	0.000	1	106.0670	0.000	1	106.0670	0.000	1	109.7490	6.344	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O){1|H<1>,1|O<1>,4|C<4>}	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	109.7490	6.344	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]O[5]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	109.7490	6.344	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:2:4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H){1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH){1|H<1>,1|O<1>,2|C<4>}	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:3:1:	C[3x5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5,5]C)(O)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5,5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	113.2730	50.240	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H){3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|O<1>}	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	113.2730	50.240	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:3:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CSiH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]C)(C[5]C[5]H)(H){1|S<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CSiH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:1:	4:4:3:	4:3:2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]C[6,6])(C[5]C[6a]N[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(C[6,6]C[3x6]2){1|O<2>,2|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,3|C<3>,3|H<1>}	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	3:4:1:	4:3:3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO){1|O<1>,1|O<2>,3|C<3>}	111.3690	0.000	1	111.3690	0.000	1	113.4073	3.142	3	112.7614	2.353	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	3:4:1:	4:3:3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O){1|O<1>,1|O<2>,3|C<3>}	114.4265	0.228	2	114.4265	0.052	2	113.4073	3.142	3	112.7614	2.353	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	3:4:1:	4:3:3:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO){1|O<1>,1|O<2>,3|C<3>}	111.7925	0.011	2	111.7925	0.000	2	111.7925	0.000	2	112.7614	2.353	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:2:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5,6])(O)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5,6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.7370	0.000	1	106.7370	0.000	1	106.7370	0.000	1	106.7370	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	108.7310	0.000	1	109.1740	0.392	2	110.9642	7.555	5	110.9642	7.555	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	C[5,5](C[5]C[5]CC)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.6170	0.000	1	109.1740	0.392	2	110.9642	7.555	5	110.9642	7.555	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,3|C<3>,3|H<1>}	109.0950	0.000	1	109.0950	0.000	1	110.9642	7.555	5	110.9642	7.555	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.6890	2.253	2	113.6890	5.075	2	110.9642	7.555	5	110.9642	7.555	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:O-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	105.5350	0.000	1	105.5350	0.000	1	105.5350	0.000	1	108.5768	9.739	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,3|H<1>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	108.5768	9.739	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]C[5])(O){2|H<1>,2|O<1>,4|C<3>}	107.7155	0.395	2	107.7155	0.156	2	107.8330	0.120	3	108.5768	9.739	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	108.0680	0.000	1	108.0680	0.000	1	107.8330	0.120	3	108.5768	9.739	5	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	112.7275	1.044	4	113.0529	7.339	7	113.0529	7.339	7	113.0529	7.339	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[5]O)2(O[5]C[5]){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	113.4867	4.459	3	113.0529	7.339	7	113.0529	7.339	7	113.0529	7.339	7	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO){1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:3:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(COO){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,4|C<3>}	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:3:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	110.0655	1.814	2	110.0655	3.290	2	110.0655	3.290	2	110.0655	3.290	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO){1|C<4>,1|N<3>,3|C<3>}	114.9270	0.000	1	114.9270	0.000	1	114.9270	0.000	1	114.9270	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:3:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN){7|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:4:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-2:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:4:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	106.2920	0.344	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:4:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	106.2920	0.344	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5]-3:C[5,5]-4:Se-2:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a])	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|Se<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a]){2|H<1>,2|O<1>,4|C<3>}	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|Se<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:3:2:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5]){2|O<1>,4|C<3>,4|H<1>}	111.9397	0.331	3	111.9397	0.109	3	111.9397	0.109	3	111.9397	0.109	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:4:3:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	109.3815	1.081	2	109.3815	1.169	2	109.3815	1.169	2	109.3815	1.169	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:3:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,6|C<3>}	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:3:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H)	C[5](C[5,5]C[5]3)(O[5]N[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5]3)(O[5]N[5])(O){1|H<1>,1|N<2>,4|C<3>}	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:3:	4:3:2:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,4|H<1>,6|C<3>}	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	118.9255	6.157	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:3:	4:3:2:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5])	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	118.9255	6.157	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:2:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:S-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5]3)(N[5]C[5,5])(SC)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	C[5](C[5,5]C[5]3)(N[5]C[5,5])(SC){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	115.7880	0.000	2	115.7880	0.000	2	115.7880	0.000	2	113.8983	10.713	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:2:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:S[5]-2:N-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N)	C[5](C[5,5]C[5]3)(S[5]C[5])(NC[6a])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N){1|H<1>,2|C<3>}	C[5](C[5,5]C[5]3)(S[5]C[5])(NC[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<2>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|N<2>,1|S<2>,2|C<2>,2|C<3>,2|C<4>}	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	113.8983	10.713	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:2:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:S-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5]3)(N[5]C[5,5])(SC)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	C[5](C[5,5]C[5]3)(N[5]C[5,5])(SC){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	107.7410	0.000	2	107.7410	0.000	2	107.7410	0.000	2	109.1243	5.741	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:2:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:S[5]-2:N-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N)	C[5](C[5,5]C[5]3)(S[5]C[5])(NC[6a])	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N){1|H<1>,2|C<3>}	C[5](C[5,5]C[5]3)(S[5]C[5])(NC[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<2>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<2>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	109.1243	5.741	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:2:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-3:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(COO)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]N)(CN){1|N<3>,1|O<1>,4|C<3>}	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]N)(C[5]O[5]O)(COO)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]N)(C[5]O[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:3:1:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN){1|C<2>,1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H){1|C<4>,3|C<2>,6|C<3>}	110.8200	0.000	1	110.8200	0.000	1	110.8200	0.000	1	111.2583	0.806	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	112.2910	0.000	1	112.2910	0.000	1	112.2910	0.000	1	111.2583	0.806	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,5]-4:N[5]-3:N-2:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]N)(C[5]N[5]S)(CNO)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]N)(C[5]N[5]S)(CNO){1|N<2>,1|S<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH){1|N<3>,2|C<3>,2|S<1>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S){1|N<3>,2|C<3>,2|N<2>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	111.2583	0.806	3	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,2|C<4>,5|C<3>}	117.3280	0.000	1	115.4400	7.129	2	115.4400	7.129	2	115.0135	2.640	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,2|C<4>,5|C<3>}	113.5520	0.000	1	115.4400	7.129	2	115.4400	7.129	2	115.0135	2.640	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:N-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	114.5870	0.252	2	114.5870	0.063	2	114.5870	0.063	2	115.0135	2.640	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.2560	0.000	1	117.7175	23.964	2	117.7175	23.964	2	115.6330	13.786	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.1790	0.000	1	117.7175	23.964	2	117.7175	23.964	2	115.6330	13.786	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:N-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5,5]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.5485	0.118	2	113.5485	0.014	2	113.5485	0.014	2	115.6330	13.786	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]H)(COO){1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	111.4470	0.049	2	111.4470	0.002	2	111.4470	0.002	2	111.9015	0.848	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,7|C<3>}	112.3560	1.310	2	112.3560	1.715	2	112.3560	1.715	2	111.9015	0.848	4	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:4:3:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,5|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){2|C<3>,2|C<4>,4|H<1>}	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:4:3:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	114.9160	5.442	2	114.9160	29.614	2	114.9160	29.614	2	114.9160	29.614	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:4:3:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH)	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O){1|C<3>,2|H<1>,3|C<4>}	109.9720	1.915	2	109.9720	3.667	2	109.9720	3.667	2	109.9720	3.667	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	3:4:1:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<3>,3|H<1>}	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	4:3:3:	4:3:4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|W<6>,4|C<3>}	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH){4|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	83.3812	8.522	8	83.3812	72.631	8	83.3812	72.631	8	83.3812	72.631	8	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	4:4:1:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O){1|O<1>,5|C<4>}	104.9370	0.000	1	104.9370	0.000	1	104.9370	0.000	1	104.9370	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	4:4:1:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH){8|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,3|H<1>}	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:4:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5,5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(O){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	107.2485	1.095	2	107.2485	1.200	2	107.2485	1.200	2	107.2485	1.200	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:4:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O){1|O<1>,3|C<3>,5|H<1>}	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:4:3:	3:4:3:	4:2:1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	109.3700	0.745	2	109.3700	0.555	2	109.3700	0.555	2	109.3700	0.555	2	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:H-1:	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(N[5]C[5])(H)	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5,5]C[5]3)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5])(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-3:S-1:	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(N[5]C[5,5]H)(S)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5,5]H)(S){1|O<1>,3|H<1>,5|C<3>}	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O){2|C<3>,2|C<4>,4|H<1>}	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:4:1:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O-1:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:2:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){6|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|O<1>,3|C<4>,5|H<1>}	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:4:3:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)	C[5,5](C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]C)(C[5]C[5]H){1|S<4>,5|H<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	111.1181	43.086	357	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:N[5]-3:N[5]-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]2)(C[5]N[5]2)	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[5])	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2	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]2)(C[5]N[5]2){12|C<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[5]){2|N<3>,8|C<3>}	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:2:	4:3:3:	4:2:3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5]-2:N-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5](C[5,6]N[5a,6]C[5,6]N[5])(N[5]C[5])(NHH)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]N[5a,6]C[5,6]N[5])(N[5]C[5])(NHH){1|N<3>,1|O<2>,3|C<3>}	109.5515	0.187	2	109.5515	0.035	2	109.5515	0.035	2	109.5515	0.035	2	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	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])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5](C[5,6]C[5,6a]C[5,6]C[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])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	110.5784	2.928	7	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	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])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(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])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	109.7195	0.749	2	109.7195	0.561	2	109.7195	0.561	2	110.5784	2.928	7	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	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])(C[6]C[6,6a]O)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5](C[5,6]C[5,6a]C[5,6]C[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])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	110.5784	2.928	7	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	111.7260	1.162	2	111.7260	1.351	2	111.7260	1.351	2	110.5784	2.928	7	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5](C[5,6]C[6,6a]C[5,6]2)(N[5]C[5,6]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]2)(N[5]C[5,6]C[6a])(O){1|C<4>,7|C<3>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	110.5784	2.928	7	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-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])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[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])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	111.2410	2.211	4	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:S[5]-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]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	111.2410	2.211	4	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	112.4520	0.740	2	112.4520	0.547	2	112.4520	0.547	2	111.2410	2.211	4	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:2:3:	4:3:4:	4:3:3:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:3:	3:4:3:	3:4:1:	C[5,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|H<1>,1|O<1>,7|C<3>}	109.7225	4.672	4	109.7225	21.829	4	109.7225	21.829	4	109.7225	21.829	4	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	112.2930	2.896	6	112.2930	8.388	6	112.2930	8.388	6	112.2930	8.388	6	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	112.1580	0.105	2	112.1580	0.011	2	112.1580	0.011	2	112.1580	0.011	2	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:4:3:	4:3:3:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	111.0050	0.000	1	109.7657	2.415	3	109.7657	2.415	3	109.7657	2.415	3	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:4:3:	4:3:3:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	108.0220	0.000	1	109.7657	2.415	3	109.7657	2.415	3	109.7657	2.415	3	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:4:3:	4:3:3:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,3|C<3>,4|H<1>}	110.2700	0.000	1	109.7657	2.415	3	109.7657	2.415	3	109.7657	2.415	3	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:4:3:	4:4:3:	4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,5|H<1>}	103.2450	0.543	2	103.2450	0.295	2	103.2450	0.295	2	103.2450	0.295	2	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:4:3:	4:4:3:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|H<1>,9|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>,4|H<1>}	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:1:	4:3:4:	4:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2H)(C[5]S[5]C)(H)	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H){2|C<3>,2|F<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	C[5](C[5,6]C[5,6]2H)(C[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O){9|C<3>}	104.5620	0.000	1	104.5620	0.000	1	104.5620	0.000	1	105.4013	1.382	3	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O){9|C<3>}	105.8210	1.307	2	105.8210	1.708	2	105.8210	1.708	2	105.4013	1.382	3	110.2039	14.873	37	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:3:3:	4:3:1:	4:3:4:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,2|O<1>,3|C<3>,4|H<1>}	114.3265	3.212	2	114.3265	10.319	2	114.3265	10.319	2	114.3265	10.319	2	114.3265	10.319	2	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	109.9360	0.503	2	109.9360	0.253	2	109.9360	0.253	2	109.9360	0.253	2	109.9360	0.253	2	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:2:	3:4:4:	4:4:3:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5,5]	3:4:3:2:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:N[5]-3:N[5]-3:	N[5,5]-3:N[5]-3:C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O){2|C<3>,2|N<3>,4|H<1>}	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	2:3:3:1:	4:3:3:	4:3:1:	O[5]-2:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H)	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]H)(H){2|C<3>,2|C<4>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	111.4490	1.891	2	111.4490	3.575	2	111.4490	3.575	2	111.4490	3.575	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	4:3:3:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	108.2890	3.958	2	108.2890	15.669	2	108.2890	15.669	2	108.2890	15.669	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){4|C<3>}	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	111.0520	2.631	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:S-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC)	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O){4|C<3>}	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	111.0520	2.631	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){4|C<3>}	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	109.1570	0.668	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[5]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	109.1570	0.668	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH){1|C<4>,3|C<3>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	B[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3)	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H)	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3){3|C<3>,3|C<4>}	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<2>,2|N<3>}	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	111.1770	1.242	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.9650	0.000	1	111.9650	0.000	1	111.9650	0.000	1	111.1770	1.242	2	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:4:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O){1|C<4>,1|N<2>,2|C<3>}	104.8950	0.000	1	104.8950	0.000	1	104.8950	0.000	1	104.8950	0.000	1	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){3|H<1>,4|C<3>}	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:3:3:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H){1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|O<1>,2|H<1>,4|C<3>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	110.7983	6.303	19	111.2099	37.019	465
474	818	818	0:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:4:3:	4:4:3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCH){1|C<4>,2|H<1>,3|C<3>}	113.2440	0.220	3	113.2440	0.048	3	113.2440	0.048	3	113.2440	0.048	3	110.7983	6.303	19	111.2099	37.019	465
474	818	818	5:SP3_SP2_SP2	C[3x5,6]	C[5,5,6]	C[5,5]	3:4:3:4:	4:3:4:	4:4:3:	C[5,5,6]-3:C[5,6]-4:C[5,5]-3:C[5]-4:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[3x5,6]-4:C[3x5,6]-4:C-3:	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH)	C[3x5,6](C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(C[5,5]C[3x5,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[3x5,6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH){1|S<4>,4|C<4>,6|H<1>}	98.7567	0.000	1	98.7567	0.000	1	98.7567	0.000	1	98.7567	0.000	1	98.7567	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[3x5,6]	C[5,5]	C[5,6]	4:3:3:3:	4:4:3:	4:3:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:N[5]-3:	C[3x5,6]-4:C[3x5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S){2|C<4>,6|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH){1|S<4>,4|C<4>,6|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,5,6]C[3x5,6]C[5])(H){1|C<3>,1|S<4>,3|H<1>,5|C<4>}	100.4620	0.000	1	100.4620	0.000	1	100.4620	0.000	1	100.4620	0.000	1	101.4645	2.010	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[3x5,6]	C[5,5]	C[5,6]	4:4:3:3:	4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[3x5,6]-4:C[5]-3:C[6]-3:	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	102.4670	0.000	1	102.4670	0.000	1	102.4670	0.000	1	102.4670	0.000	1	101.4645	2.010	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[3x5,6]	C[5,6]	C[3x5]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[4x5,6]	C[5,5,6]	C[5]	4:4:3:3:	4:3:4:	4:2:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-3:C[5]-3:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[4x5,6]-4:O[5]-2:O-1:	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(O[5]C[5])(O)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O){1|C<4>,5|H<1>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5,6,6]	4:3:3:3:	4:4:3:	4:4:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	99.9189	0.000	1	99.9189	0.000	1	99.9189	0.000	1	99.9189	0.000	1	99.9189	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	3:3:3:3:	4:3:4:	4:2:1:	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]-3:C[5]-4:	C[5,3x6]-4:O[5]-2:O-1:	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[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(O[5]C[5])(O)	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[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(O[5]C[5])(O){2|H<1>,5|C<3>}	104.0630	0.000	1	103.8865	0.062	2	103.8865	0.062	2	103.8865	0.062	2	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	3:3:3:3:	4:3:4:	4:2:1:	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]-3:C[5]-4:	C[5,3x6]-4:O[5]-2:O-1:	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[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(O[5]C[5])(O)	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[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]H)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(O[5]C[5])(O){2|H<1>,5|C<3>}	103.7100	0.000	1	103.8865	0.062	2	103.8865	0.062	2	103.8865	0.062	2	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	103.0595	0.479	2	103.0595	0.229	2	103.0595	0.229	2	103.0595	0.229	2	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,6|C<3>}	101.6560	0.000	1	101.6560	0.000	1	103.2636	0.814	5	103.2636	0.814	5	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6a]-3:O-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	103.6655	0.089	4	103.6655	0.008	4	103.2636	0.814	5	103.2636	0.814	5	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	4:4:3:3:	4:3:2:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:S[5]-2:	C[5,3x6]-4:C[5]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5])	C[5](C[5,3x6]C[5,6,6]3)(C[5]S[5]H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[5,6,6]C[6,6]S[5])(C[5]C[5]H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,3x6]C[5,6,6]3)(C[5]S[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6]	C[5]	4:4:3:3:	4:3:3:	3:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6a]-3:C[5,3x6]-4:O-1:	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O)	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	103.4300	0.000	1	103.4300	0.000	1	103.4300	0.000	1	103.4300	0.000	1	103.6724	1.479	11	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6]	C[5,5]	3:3:4:4:	4:3:4:	4:4:1:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O){2|C<4>,3|C<3>,6|H<1>}	95.9312	0.000	1	95.9312	0.000	1	95.9312	0.000	1	95.9312	0.000	1	95.9346	0.000	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6]	C[5,5]	3:4:3:4:	4:3:4:	4:4:1:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	95.9380	0.000	1	95.9380	0.000	1	95.9380	0.000	1	95.9380	0.000	1	95.9346	0.000	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,5]	C[5,6]	3:3:4:1:	4:4:1:	3:4:1:	C[5,5]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6]-3:C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6,6]H)(C[5,6]C[5,6]CH)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	96.3703	0.000	1	96.3703	0.000	1	96.3703	0.000	1	96.3703	0.000	1	96.8199	0.404	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,5]	C[5,6]	4:3:3:1:	4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	97.2695	0.000	1	97.2695	0.000	1	97.2695	0.000	1	97.2695	0.000	1	96.8199	0.404	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,5]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	102.5890	0.184	2	102.5890	0.034	2	102.5890	0.034	2	102.5890	0.034	2	102.6030	0.017	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,5]	C[5]	4:3:4:3:	4:4:3:	4:3:3:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H){1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	102.6310	0.000	1	102.6310	0.000	1	102.6310	0.000	1	102.6310	0.000	1	102.6030	0.017	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5]	3:4:3:3:	4:3:4:	4:2:1:	C[5,6,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[6,6]-4:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O)	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(O[5]C[5,6])(O)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O){3|H<1>,7|C<4>}	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(O[5]C[5,6])(O){1|O<1>,6|C<4>}	100.8050	0.000	1	100.8050	0.000	1	100.8050	0.000	1	100.8050	0.000	1	100.8050	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCC)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(CCC){2|C<3>,2|H<1>}	97.9232	0.068	3	97.9232	0.005	3	97.9232	0.005	3	97.9232	0.005	3	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:1:	4:3:3:	4:4:3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,5](C[5,5,6]C[5,6]2H)2(CCC)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(CCC){4|C<3>}	98.0925	0.448	6	98.0925	0.201	6	98.0925	0.201	6	97.9956	0.141	10	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2H)2(CCC)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5](C[5,5,6]C[5,6]2H)2(CCC){2|C<3>,2|H<1>}	97.8501	0.203	4	97.8501	0.041	4	97.8501	0.041	4	97.9956	0.141	10	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:4:	4:3:1:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	95.8358	0.000	1	95.8358	0.000	1	95.8358	0.000	1	95.8358	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:4:	4:3:3:	4:4:4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al)	C[5,5](C[5,5,6]C[5,6]2C)2(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al){1|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)2(CH3){2|C<4>,2|N<3>}	80.3610	1.219	4	80.3610	1.485	4	80.3610	1.485	4	80.3610	1.485	4	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:4:	4:3:4:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	96.1915	0.000	1	96.1915	0.000	1	96.1915	0.000	1	96.1915	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:3:4:	4:3:4:	4:4:4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)2(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)2(CH3){2|C<4>,2|N<3>}	102.3665	1.192	4	102.3665	1.420	4	102.3665	1.420	4	102.3665	1.420	4	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:4:2:	4:4:2:	4:4:3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){2|Cl<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	100.0240	0.000	1	100.0240	0.000	1	100.0240	0.000	1	100.0240	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:4:3:	4:3:3:	4:4:1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O)	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])(O){2|C<4>,3|C<3>,6|H<1>}	95.6882	0.000	1	95.6882	0.000	1	95.6882	0.000	1	96.1999	0.482	6	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:4:3:	4:3:3:	4:4:1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O){3|H<1>,7|C<3>}	95.6372	0.000	1	95.6372	0.000	1	96.3023	0.524	5	96.1999	0.482	6	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:3:4:3:	4:3:3:	4:4:1:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O){3|H<1>,7|C<3>}	96.4685	0.717	4	96.4685	0.514	4	96.3023	0.524	5	96.1999	0.482	6	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:4:3:1:	4:3:1:	4:4:1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	96.8237	0.000	1	96.8237	0.000	1	96.8237	0.000	1	96.8237	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:4:3:1:	4:3:3:	4:4:1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS)	C[5,5](C[5,5,6]C[5,6]2H)2(O)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(O){1|C<4>,1|N<3>,4|H<1>}	94.4421	0.257	2	94.4421	0.066	2	94.4421	0.066	2	94.4421	0.066	2	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	3:4:3:1:	4:3:4:	4:4:1:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3)	C[5,5](C[5,5,6]C[5,6]2H)2(O)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3){1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(O){1|C<4>,1|N<3>,4|H<1>}	96.6787	0.463	2	96.6787	0.214	2	96.6787	0.214	2	96.6787	0.214	2	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:1:	4:4:3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	97.1995	0.000	1	97.1995	0.000	1	97.1995	0.000	1	97.1995	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O){1|H<1>,5|C<3>}	97.3044	0.000	1	97.3044	0.000	1	97.3722	0.251	3	97.3722	0.251	3	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,7|C<3>}	96.9083	0.000	1	96.9083	0.000	1	97.3722	0.251	3	97.3722	0.251	3	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){2|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(O){1|H<1>,5|C<3>}	97.9038	0.000	1	97.9038	0.000	1	97.3722	0.251	3	97.3722	0.251	3	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:3:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){1|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCC){1|H<1>,5|C<3>}	97.5491	0.000	1	97.5491	0.000	1	97.1154	0.376	2	97.1154	0.376	2	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:3:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCC)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){2|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCC){1|H<1>,5|C<3>}	96.6818	0.000	1	96.6818	0.000	1	97.1154	0.376	2	97.1154	0.376	2	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:4:	4:4:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,1|O<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){3|C<3>,3|C<4>}	98.1273	0.000	1	98.1273	0.000	1	98.1273	0.000	1	98.1273	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:1:	4:3:4:	4:4:3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	97.1009	0.000	1	97.1009	0.000	1	97.1009	0.000	1	97.1009	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:3:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,7|C<3>}	95.3902	0.000	1	95.3902	0.000	1	95.3902	0.000	1	96.4235	0.544	4	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:3:	4:3:3:	4:4:1:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,6]2C[6a])2(O){3|H<1>,7|C<3>}	96.7679	0.322	3	96.7679	0.104	3	96.7679	0.104	3	96.4235	0.544	4	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:4:	4:3:3:	4:4:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){3|C<3>,3|C<4>}	97.2317	0.000	1	97.2317	0.000	1	97.2317	0.000	1	97.2317	0.000	1	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:4:	4:3:4:	4:4:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	96.1183	0.000	1	96.1183	0.000	1	96.1183	0.000	1	96.8229	0.993	2	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5]	4:3:3:4:	4:3:4:	4:4:1:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	97.5275	0.000	1	97.5275	0.000	1	97.5275	0.000	1	96.8229	0.993	2	96.1660	25.470	50	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:4:	4:3:3:	4:2:3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	100.5250	0.000	1	100.5250	0.000	1	100.5250	0.000	1	100.5250	0.000	1	101.0455	0.542	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	101.5660	0.000	1	101.5660	0.000	1	101.5660	0.000	1	101.5660	0.000	1	101.0455	0.542	2	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:3:3:	4:3:3:	4:2:3:	C[5,6]-4:C[5,6]-3:C[5]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:N[5]-2:C-3:	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5])(CCC)	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[5]N[5]C){1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5])(CCC){2|C<4>,5|C<3>}	101.6260	0.000	1	101.6260	0.000	1	101.6260	0.000	1	101.6260	0.000	1	101.0991	4.760	4	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:4:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	102.4345	0.456	2	102.4345	0.208	2	102.4345	0.208	2	102.4345	0.208	2	101.0991	4.760	4	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5]	4:3:4:3:	4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(O){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]H)(H){1|O<1>,4|C<4>,4|H<1>}	97.9012	0.000	1	97.9012	0.000	1	97.9012	0.000	1	97.9012	0.000	1	101.0991	4.760	4	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5,6]	C[5]	C[5]	4:4:3:3:	4:2:1:	4:2:1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(O[5]O[5])(O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(O[5]O[5])(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)2{1|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(O[5]O[5])(O){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(O[5]O[5])(O){1|O<1>,3|C<4>,3|H<1>}	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:2:2:	4:3:4:	4:3:4:	C[5,5]-3:C[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2{4|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	100.8990	0.000	1	100.8990	0.000	1	100.8990	0.000	1	100.8990	0.000	1	111.4207	90.214	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	111.4207	90.214	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:4:	4:4:2:	4:4:2:	C[5,5]-3:C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:N[5]-2:	C[5,5]-4:C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5,5]N[5])2(C[5]C[5]HH)2	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(N[5]O[5])	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(N[5]O[5])	C[5,5](C[5,5]C[5,5]N[5])2(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(N[5]O[5]){1|N<2>,4|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(N[5]O[5]){1|N<2>,4|C<4>,6|H<1>}	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	111.4207	90.214	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:1:	4:3:2:	4:4:1:	C[5,5]-3:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:H-1:	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5])	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H){1|N<2>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	103.5640	0.000	1	103.5640	0.000	1	103.5640	0.000	1	103.5640	0.000	1	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O){8|C<3>}	99.9403	0.000	1	99.9403	0.000	1	99.9403	0.000	1	99.9403	0.000	1	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	103.8850	0.000	1	103.8850	0.000	1	103.3065	0.669	2	103.3065	0.669	2	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	102.7280	0.000	1	102.7280	0.000	1	103.3065	0.669	2	103.3065	0.669	2	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:4:	4:4:2:	4:3:1:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:N[5]-2:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]N[5,5]C[6a]C[5])(C[5,5]C[6a]C[5]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5,5]C[5,6a]C[5,5])(O)	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]C[6a]C[5])(C[5,5]C[6a]C[5]2)(N[5]C[5]){1|O<1>,2|F<1>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5,5]C[5,6a]C[5,5])(O){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	97.5501	0.121	2	97.5501	0.015	2	97.5501	0.015	2	97.5501	0.015	2	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:3:	4:4:3:	4:4:1:	C[5,5]-3:C[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]O)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C){1|O<1>,2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]C[5]H)(O){1|C<3>,3|C<4>,5|H<1>}	101.2670	0.171	2	101.2670	0.029	2	101.2670	0.029	2	101.2670	0.029	2	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:1:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	103.4740	0.000	1	103.4740	0.000	1	103.4740	0.000	1	103.4740	0.000	1	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:1:	4:3:4:	4:3:1:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H)	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	101.1910	0.218	2	101.1910	0.047	2	101.1910	0.047	2	101.1910	0.047	2	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:4:	4:3:3:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	101.2170	0.105	2	101.2170	0.011	2	101.2170	0.011	2	101.2170	0.011	2	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:4:	4:4:3:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	101.1465	0.090	2	101.1465	0.008	2	100.9525	0.103	8	100.9525	0.103	8	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:4:	4:4:3:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	101.1675	0.152	2	101.1675	0.023	2	100.9525	0.103	8	100.9525	0.103	8	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:4:	4:4:3:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	100.7480	0.343	4	100.7480	0.118	4	100.9525	0.103	8	100.9525	0.103	8	101.1267	2.487	21	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5,6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	101.5830	0.000	1	101.5830	0.000	1	101.5830	0.000	1	101.5830	0.000	1	101.5830	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	102.2480	0.000	1	102.2480	0.000	1	102.2480	0.000	1	101.3320	0.895	3	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	101.3890	0.000	1	100.8740	0.530	2	100.8740	0.530	2	101.3320	0.895	3	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])2(C[5,5]C[5]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	100.3590	0.000	1	100.8740	0.530	2	100.8740	0.530	2	101.3320	0.895	3	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:4:	4:3:3:	4:3:3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,9|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	102.3450	0.000	1	102.3450	0.000	1	102.3450	0.000	1	102.3450	0.000	1	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:4:	4:3:4:	4:4:3:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	104.4280	0.000	2	104.4280	0.000	2	104.4280	0.000	2	104.4280	0.000	2	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:3:	4:4:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:P[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Au)(CCC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Au)(CCC){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|N<3>,3|C<3>,4|H<1>}	106.8820	0.000	1	106.8820	0.000	1	106.9363	0.159	7	106.9363	0.159	7	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:3:	4:4:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:P[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Pd)(CCC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]Pd)(CCC){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	106.8415	0.298	4	106.8415	0.089	4	106.9363	0.159	7	106.9363	0.159	7	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:3:	4:4:3:	4:4:3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:P[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]S)(CCC)	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(P[5]C[6a]C[5]S)(CCC){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	107.1530	0.747	2	107.1530	0.558	2	106.9363	0.159	7	106.9363	0.159	7	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:1:	4:3:3:	4:4:3:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	103.4900	0.000	1	103.4900	0.000	1	103.4900	0.000	1	103.4900	0.000	1	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:3:	4:3:3:	4:4:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){2|C<4>,3|C<3>}	99.1781	0.000	1	98.8343	0.236	2	98.8343	0.236	2	98.8343	0.236	2	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:3:	4:3:3:	4:4:3:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	98.4905	0.000	1	98.8343	0.236	2	98.8343	0.236	2	98.8343	0.236	2	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:4:	4:3:4:	4:3:3:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C){5|C<4>}	102.6430	0.000	2	102.6430	0.000	2	102.6430	0.000	2	102.6430	0.000	2	103.8998	8.525	18	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:2:3:3:	4:3:3:	4:3:2:	C[5]-3:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)2{1|N<3>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN){1|O<1>,4|C<3>}	103.4490	0.000	1	103.4490	0.000	1	103.4490	0.000	1	103.4490	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(O[5]C[5,6a])2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	104.2680	0.137	2	104.2680	0.019	2	104.2680	0.019	2	104.0752	0.081	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2{2|C<3>,2|S<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	103.6150	0.000	1	103.6150	0.000	1	103.9467	0.091	3	104.0752	0.081	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2{2|C<3>,2|S<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	104.0210	0.000	1	104.0210	0.000	1	103.9467	0.091	3	104.0752	0.081	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	104.2040	0.000	1	104.2040	0.000	1	103.9467	0.091	3	104.0752	0.081	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:2:3:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,5|C<3>}	100.3310	0.452	3	100.3310	0.205	3	100.3310	0.205	3	100.3310	0.205	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:2:4:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O){1|C<3>,1|H<1>,2|C<4>}	100.4810	0.000	1	100.4810	0.000	1	100.4810	0.000	1	100.9700	0.478	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:2:4:	4:3:1:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3)	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[6a]N[5])(O)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>}	101.4590	0.000	1	101.4590	0.000	1	101.4590	0.000	1	100.9700	0.478	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	102.2420	0.000	1	102.2420	0.000	1	102.2420	0.000	1	102.2420	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:2:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|H<1>,5|C<3>}	99.9578	0.000	1	99.9578	0.000	1	99.9578	0.000	1	99.9578	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	105.2740	0.000	1	105.2740	0.000	1	105.2740	0.000	1	103.0623	0.842	8	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	102.3100	0.000	1	102.3100	0.000	1	102.7463	0.050	7	103.0623	0.842	8	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(N[5]C[5]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5]C)2{2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	102.8190	0.127	6	102.8190	0.016	6	102.7463	0.050	7	103.0623	0.842	8	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,6|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,5|C<3>}	100.6380	0.000	1	100.6380	0.000	1	100.6380	0.000	1	100.6380	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:3:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-3:C-3:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,7|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	102.8830	0.330	2	102.8830	0.109	2	102.8830	0.109	2	102.8830	0.109	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	103.1350	0.085	2	103.2343	0.033	3	103.2343	0.033	3	103.2343	0.033	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	103.4330	0.000	1	103.2343	0.033	3	103.2343	0.033	3	103.2343	0.033	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:2:1:	4:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	C[5,5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	102.3350	0.000	1	102.3350	0.000	1	102.3350	0.000	1	102.3350	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:2:2:	4:3:3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:S[5]-2:N-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N)	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a])	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,5|C<3>}	C[5](C[5,5]C[5]N[5]2)(S[5]C[5])(NC[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO){2|N<2>,3|C<3>}	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2{2|C<4>,2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,4|C<3>}	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:2:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){7|C<3>}	100.4813	0.303	3	100.4813	0.092	3	100.4813	0.092	3	100.4813	0.092	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:2:	4:2:2:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-2:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(CN){1|N<3>,1|O<1>,3|C<3>}	97.3455	0.000	1	97.3455	0.000	1	97.3455	0.000	1	97.3455	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-2:I-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(I)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]I){1|H<1>,2|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]I)(COO){1|I<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(I){1|I<1>,5|C<3>}	98.5457	0.000	1	98.5457	0.000	1	98.5457	0.000	1	98.5457	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	102.0700	0.000	1	102.0700	0.000	1	102.0700	0.000	1	102.3420	0.867	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	103.2037	0.359	3	103.2037	0.129	3	103.2037	0.129	3	102.3420	0.867	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|C<4>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){3|C<4>,5|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){2|C<4>,4|C<3>}	101.6890	0.000	1	101.6890	0.000	1	101.5710	0.429	3	102.3420	0.867	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]H)(COO)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]H)(COO){2|C<4>,4|C<3>}	100.8650	0.000	1	100.8650	0.000	1	101.5710	0.429	3	102.3420	0.867	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,6|C<3>}	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){1|C<4>,1|N<2>,6|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){1|N<2>,5|C<3>}	102.1590	0.000	1	102.1590	0.000	1	101.5710	0.429	3	102.3420	0.867	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:4:	3:4:1:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.5480	0.000	1	101.5480	0.000	1	102.1255	0.306	4	102.4788	0.854	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:4:	3:4:1:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	102.5335	0.442	2	102.5335	0.195	2	102.1255	0.306	4	102.4788	0.854	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:4:	3:4:1:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	101.8870	0.000	1	101.8870	0.000	1	102.1255	0.306	4	102.4788	0.854	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:4:	3:4:1:	3:4:1:	N[5,6]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O)	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	103.8920	0.000	1	103.8920	0.000	1	103.8920	0.000	1	102.4788	0.854	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:4:	4:3:1:	4:3:1:	N[5,5]-3:C[5]-3:C[5]-3:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.5990	0.425	5	101.5990	0.181	5	101.5990	0.181	5	101.5990	0.181	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	102.4210	0.000	1	102.0060	0.172	3	102.1912	0.252	4	102.1912	0.252	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C){3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.7985	0.292	2	102.0060	0.172	3	102.1912	0.252	4	102.1912	0.252	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	102.7470	0.000	1	102.7470	0.000	1	102.1912	0.252	4	102.1912	0.252	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5]C[5,6a]O)2(C[5,5]C[5]3)(N[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5]C[5,6a]O)2(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.4873	0.240	8	101.4873	0.058	8	101.4873	0.058	8	101.4873	0.058	8	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:2:	4:3:2:	4:3:1:	C[5]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]){1|S<2>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	100.3560	0.000	1	100.3560	0.000	1	100.3560	0.000	1	100.3560	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	3:4:1:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	102.4350	0.287	3	102.4350	0.082	3	102.6222	0.110	5	102.6222	0.110	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	3:4:1:	3:4:1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	102.9030	0.105	2	102.9030	0.011	2	102.6222	0.110	5	102.6222	0.110	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:2:3:	3:4:1:	C[5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(COO)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(COO){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,1|N<2>,2|C<2>,4|C<3>}	100.0490	0.000	1	100.0490	0.000	1	100.0490	0.000	1	100.0490	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:3:3:	4:3:3:	4:2:1:	C[5,6]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	100.8000	0.000	1	100.8000	0.000	1	100.8000	0.000	1	100.8000	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	3:4:4:3:	4:3:2:	3:4:1:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){3|C<3>,3|C<4>,3|H<1>}	100.2620	0.000	1	100.2620	0.000	1	100.2620	0.000	1	100.2620	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:2:3:3:	4:3:1:	4:2:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	101.2150	0.000	1	101.2150	0.000	1	101.0088	0.056	4	101.0088	0.056	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:2:3:3:	4:3:1:	4:2:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	101.1710	0.000	1	100.9400	0.056	3	101.0088	0.056	4	101.0088	0.056	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:2:3:3:	4:3:1:	4:2:4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	100.8245	0.180	2	100.9400	0.056	3	101.0088	0.056	4	101.0088	0.056	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:2:3:3:	4:4:1:	4:3:1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H)	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	102.1330	0.000	1	102.1330	0.000	1	102.1330	0.000	1	102.1330	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:2:3:	4:3:2:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|H<1>,6|C<3>}	100.7550	0.000	1	100.7550	0.000	1	100.7550	0.000	1	100.7550	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	102.9720	0.000	1	102.9720	0.000	1	102.9720	0.000	1	104.3535	3.817	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){3|H<1>,5|C<3>}	105.7350	0.000	1	105.7350	0.000	1	105.7350	0.000	1	104.3535	3.817	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:2:	4:3:1:	4:2:4:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]C[6a]N[5])(O)	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]C[6a]N[5])(O){1|C<4>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3){1|O<1>,5|C<3>}	100.8670	0.000	1	100.8670	0.000	1	100.8670	0.000	1	100.8670	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	102.0700	0.000	1	102.0700	0.000	1	102.6845	0.309	4	102.6845	0.309	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	102.4550	0.000	1	102.4550	0.000	1	102.6845	0.309	4	102.6845	0.309	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H){1|P<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	102.8410	0.000	1	102.8410	0.000	1	102.6845	0.309	4	102.6845	0.309	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	103.3720	0.000	1	103.3720	0.000	1	102.6845	0.309	4	102.6845	0.309	4	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	3:4:2:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:Se-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a])	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a]){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	102.8460	0.000	1	102.8460	0.000	1	102.8460	0.000	1	102.8460	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	100.3795	0.325	2	100.3795	0.105	2	100.6163	0.061	7	100.6163	0.061	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	100.7800	0.000	2	100.7800	0.000	2	100.6163	0.061	7	100.6163	0.061	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N){1|H<1>,2|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<2>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|N<2>,1|S<2>,2|C<2>,2|C<3>,2|C<4>}	100.8910	0.000	1	100.8910	0.000	1	100.6163	0.061	7	100.6163	0.061	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,2|C<4>,5|C<3>}	100.6210	0.000	1	100.5520	0.010	2	100.6163	0.061	7	100.6163	0.061	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,2|C<4>,5|C<3>}	100.4830	0.000	1	100.5520	0.010	2	100.6163	0.061	7	100.6163	0.061	7	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:2:4:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O){1|C<3>,2|H<1>,3|C<4>}	100.9550	0.557	2	100.9550	0.310	2	100.9550	0.310	2	100.9550	0.310	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:2:1:	C[5]-4:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]O[5])(H)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O){6|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|N<2>,2|H<1>,4|C<3>}	100.7270	0.000	1	100.7270	0.000	1	100.7270	0.000	1	100.7270	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	102.3635	0.135	2	102.3635	0.018	2	102.6227	0.096	4	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<4>,4|H<1>,6|C<3>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	102.9130	0.000	1	102.8820	0.002	2	102.6227	0.096	4	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{3|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	102.8510	0.000	1	102.8820	0.002	2	102.6227	0.096	4	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	102.3650	0.000	1	102.3650	0.000	1	101.7712	0.186	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C){3|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	101.2040	0.000	1	101.2040	0.000	1	101.7712	0.186	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	101.7240	0.246	2	101.7240	0.061	2	101.7712	0.186	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|S<2>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|S<2>,3|C<3>,3|C<4>}	101.8390	0.000	1	101.8390	0.000	1	101.7712	0.186	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.0573	0.984	3	101.3242	0.626	5	101.3242	0.626	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.5950	0.000	1	101.3242	0.626	5	101.3242	0.626	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	101.8540	0.000	1	101.3242	0.626	5	101.3242	0.626	5	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	102.4970	0.000	1	102.4970	0.000	1	102.4970	0.000	1	101.8977	0.552	15	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:2:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:N-2:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	102.8330	0.000	1	102.8330	0.000	1	102.8330	0.000	1	102.8330	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,4|H<1>,6|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,6|C<3>}	100.2370	0.000	1	100.2370	0.000	1	100.2370	0.000	1	100.2370	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:2:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]3)(O[5]N[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(O[5]N[5])(O){1|H<1>,1|N<2>,4|C<3>}	100.4190	0.000	1	100.4190	0.000	1	100.4190	0.000	1	100.7100	0.080	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:2:1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5,5]C[5]2N[5])(O[5]N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O){1|Br<1>,6|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(O[5]N[5])(O){1|H<1>,1|N<2>,4|C<3>}	100.8555	0.183	2	100.8555	0.034	2	100.8555	0.034	2	100.7100	0.080	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:3:	4:3:2:	4:3:1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O){1|Br<1>,7|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|H<1>,1|N<2>,6|C<3>}	101.2850	0.000	1	101.2850	0.000	1	101.2850	0.000	1	101.2850	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H){1|Fe<10>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	102.8810	0.000	1	102.8810	0.000	1	102.8810	0.000	1	102.7796	0.141	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	103.3900	0.000	1	103.3900	0.000	1	103.3900	0.000	1	102.7796	0.141	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	102.5423	0.084	3	102.5423	0.007	3	102.5423	0.007	3	102.7796	0.141	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:4:3:	4:3:2:	3:4:1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	100.3730	0.025	2	100.3730	0.001	2	100.3730	0.001	2	100.3730	0.001	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	102.2600	0.000	1	102.2600	0.000	1	102.7127	0.155	9	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	102.7290	0.440	4	102.7382	0.145	5	102.7127	0.155	9	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	102.7750	0.000	1	102.7382	0.145	5	102.7127	0.155	9	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	102.2950	0.000	1	102.2950	0.000	1	102.7127	0.155	9	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	103.0840	0.011	2	103.0840	0.000	2	102.7127	0.155	9	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	103.6240	0.000	1	103.6240	0.000	1	103.2977	0.220	3	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	103.5090	0.000	1	103.5090	0.000	1	103.2977	0.220	3	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	102.7600	0.000	1	102.7600	0.000	1	103.2977	0.220	3	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	102.7670	0.000	1	102.7670	0.000	1	102.8995	0.046	6	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2{1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	102.6020	0.000	1	102.6020	0.000	1	102.8995	0.046	6	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	103.0070	0.163	4	103.0070	0.027	4	102.8995	0.046	6	102.8724	0.158	18	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	3:4:1:	4:2:4:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5,5]-4:O-1:	C[5,5]-4:N[5]-2:C-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,3|H<1>,4|C<3>}	100.0151	0.237	2	100.0151	0.056	2	100.0151	0.056	2	100.0151	0.056	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6a]HH)2(C[5]O[5]O)2	C[5](C[5,5]C[5]3)(O[5]O[5])(O)	C[5](C[5,5]C[5]3)(O[5]O[5])(O)	C[5,5](C[5]C[5,6a]HH)2(C[5]O[5]O)2{2|C<3>}	C[5](C[5,5]C[5]3)(O[5]O[5])(O){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]3)(O[5]O[5])(O){1|O<1>,2|C<3>,4|H<1>}	102.5120	0.000	1	102.5120	0.000	1	102.4215	0.016	2	102.4215	0.016	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)2	C[5](C[5,5]C[5]3)(O[5]O[5])(O)	C[5](C[5,5]C[5]3)(O[5]O[5])(O)	C[5,5](C[5]C[5]HH)2(C[5]O[5]O)2{4|H<1>}	C[5](C[5,5]C[5]3)(O[5]O[5])(O){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5]3)(O[5]O[5])(O){1|O<1>,2|C<4>,4|H<1>}	102.3310	0.000	1	102.3310	0.000	1	102.4215	0.016	2	102.4215	0.016	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,6|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,3|C<4>,4|C<3>}	100.6450	0.000	1	100.6450	0.000	1	100.6934	0.198	5	100.6934	0.198	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,3|C<4>,4|C<3>}	100.5680	0.000	1	100.4617	0.038	3	100.6934	0.198	5	100.6934	0.198	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,3|C<4>,4|C<3>}	100.4085	0.241	2	100.4617	0.038	3	100.6934	0.198	5	100.6934	0.198	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:4:	3:4:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5,5]-4:O-1:	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	101.4370	0.000	1	101.4370	0.000	1	100.6934	0.198	5	100.6934	0.198	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>,4|C<4>}	100.2820	0.000	1	100.2820	0.000	1	100.2820	0.000	1	101.1794	0.266	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3)	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[6a]N[5])(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[6a]N[5])(O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	101.4038	0.138	4	101.4038	0.019	4	101.4038	0.019	4	101.1794	0.266	5	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]H)(H)	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O)	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O){1|C<2>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	101.5705	0.144	2	101.5705	0.021	2	101.5705	0.021	2	101.5705	0.021	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)(O)	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<4>,4|O<2>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)(O){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	102.0530	0.000	1	102.0530	0.000	1	102.0530	0.000	1	102.3155	0.138	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2{2|C<4>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	102.5780	0.000	1	102.5780	0.000	1	102.5780	0.000	1	102.3155	0.138	2	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:3:2:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	100.3029	0.295	3	100.3029	0.087	3	100.3029	0.087	3	100.3029	0.087	3	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O){2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O){1|C<4>,3|C<3>,4|H<1>}	101.8380	0.000	1	101.8380	0.000	1	101.8380	0.000	1	101.8380	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,5]	C[5]	C[5]	4:4:3:3:	4:4:3:	4:2:1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O){3|C<4>,3|H<1>}	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	102.1930	0.000	1	102.1930	0.000	1	102.1930	0.000	1	102.1930	0.000	1	101.9490	2.110	166	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:1:	4:4:3:	3:4:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	97.0576	0.000	1	97.0576	0.000	1	97.0576	0.000	1	97.0576	0.000	1	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:1:	4:4:3:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	101.7260	0.236	2	101.7260	0.056	2	101.1852	0.410	4	101.1852	0.410	4	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:1:	4:4:3:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	100.6445	0.059	2	100.6445	0.003	2	101.1852	0.410	4	101.1852	0.410	4	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:2:	4:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<3>}	100.4531	0.571	4	100.4531	0.326	4	100.4531	0.326	4	100.4531	0.326	4	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-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[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[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[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	100.3045	0.267	2	100.3045	0.071	2	100.3045	0.071	2	100.5940	0.287	3	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2){2|C<4>,7|C<3>}	101.1730	0.000	1	101.1730	0.000	1	101.1730	0.000	1	100.5940	0.287	3	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	100.1900	0.000	1	100.1900	0.000	1	100.9063	1.196	3	100.9063	1.196	3	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	100.3640	0.000	1	100.3640	0.000	1	100.9063	1.196	3	100.9063	1.196	3	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	102.1650	0.000	1	102.1650	0.000	1	100.9063	1.196	3	100.9063	1.196	3	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:1:	4:4:3:	3:4:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	102.3380	0.000	1	102.3380	0.000	1	102.3380	0.000	1	102.3380	0.000	1	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:1:	4:4:3:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	101.7330	0.000	1	101.7330	0.000	1	101.7330	0.000	1	103.9190	9.557	2	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:1:	4:4:3:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	103.9190	9.557	2	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:2:	4:4:3:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	101.5620	0.000	1	101.5620	0.000	1	101.5620	0.000	1	101.5620	0.000	1	101.0447	2.846	19	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:3:4:1:	3:4:4:	4:3:3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	103.9470	0.000	1	103.9470	0.000	1	103.9470	0.000	1	103.9470	0.000	1	103.9470	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5,6]	C[5,6]	3:3:4:3:	4:4:3:	4:4:1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	96.6077	0.000	1	96.6077	0.000	1	96.6077	0.000	1	96.6077	0.000	1	96.6077	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5]	C[5,6]	4:3:4:3:	4:3:1:	4:4:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	96.5606	0.000	1	96.5606	0.000	1	96.5606	0.000	1	96.5606	0.000	1	96.5606	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O)	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2{3|H<1>,4|C<3>}	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	101.4350	0.000	1	101.4350	0.000	1	101.4350	0.000	1	101.4350	0.000	1	101.8192	0.184	8	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	101.7118	0.383	5	101.7118	0.146	5	101.7118	0.146	5	101.8741	0.186	7	101.8192	0.184	8	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6,6]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6]-4:C[5,6a]-3:O-1:	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	102.2800	0.264	2	102.2800	0.070	2	102.2800	0.070	2	101.8741	0.186	7	101.8192	0.184	8	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,5,6]	C[5]	3:3:3:4:	4:4:2:	4:4:1:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a])	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O){1|N<2>,2|C<3>,2|C<4>}	97.0617	0.000	1	97.0617	0.000	1	97.0617	0.000	1	97.0617	0.000	1	97.0617	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:4:3:4:	4:4:3:	4:2:1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>}	100.2780	0.000	1	100.2780	0.000	1	100.2780	0.000	1	100.2780	0.000	1	100.0558	0.793	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:4:3:4:	4:4:3:	4:3:1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	100.8140	0.000	1	100.8140	0.000	1	100.8140	0.000	1	100.8140	0.000	1	100.0558	0.793	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	4:3:3:2:	3:4:4:	4:3:2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5]){1|O<2>,2|C<4>,5|C<3>}	99.0754	0.000	1	99.0754	0.000	1	99.0754	0.000	1	99.0754	0.000	1	100.0558	0.793	3	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:2:3:4:	4:2:3:	4:3:4:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:Se[6]-2:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	102.6190	0.000	1	102.6190	0.000	1	102.6190	0.000	1	102.6190	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:3:	4:3:2:	4:2:4:	C[5,6]-3:C[5]-3:C[6]-2:C-3:	C[5,6]-4:C[6]-3:C[5]-2:	C[5,6]-4:C[5]-2:C-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(C[5]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH){2|C<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(C[5]C[5]){1|C<2>,1|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH){1|C<2>,1|C<3>}	100.0650	0.000	1	100.0650	0.000	1	100.0650	0.000	1	100.0650	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:1:	4:4:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O)	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H){1|Si<4>,1|O<1>,2|C<3>,4|C<4>}	97.7726	0.000	1	97.7726	0.000	1	97.7726	0.000	1	97.7726	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:1:	4:4:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	98.0504	0.000	1	98.0504	0.000	1	98.0504	0.000	1	98.0504	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:1:	4:4:3:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	101.1310	0.000	1	101.1310	0.000	1	101.1310	0.000	1	101.1310	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O){2|C<2>,4|C<3>}	101.6130	0.000	1	101.6130	0.000	1	101.6130	0.000	1	101.6130	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5](C[5,6]C[6,6a]C[5,6]2)(N[5]C[5,6]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]2)(N[5]C[5,6]C[6a])(O){1|C<4>,7|C<3>}	101.1570	0.000	1	101.1570	0.000	1	101.1570	0.000	1	101.1570	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[5]-3:C-2:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN){1|O<1>,3|C<3>,4|C<4>}	101.0030	0.000	1	101.0030	0.000	1	101.0030	0.000	1	101.0030	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:4:	3:4:3:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|H<1>,5|C<3>}	102.7220	0.000	1	102.7220	0.000	1	102.7220	0.000	1	102.7220	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:4:	4:3:2:	4:3:1:	C[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:N[6]-2:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6])	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	102.0330	0.000	1	102.0330	0.000	1	102.0330	0.000	1	102.0330	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:4:	4:3:2:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-4:C[5]-3:N-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a]){1|H<1>,4|C<3>}	98.9078	0.000	1	98.9078	0.000	1	98.9078	0.000	1	98.9078	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:4:	4:4:2:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,3|C<3>}	100.2270	0.000	1	100.2270	0.000	1	100.2270	0.000	1	100.2270	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:4:	4:4:3:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:1:	4:4:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F){2|C<3>,3|C<4>,4|H<1>}	104.2310	0.000	1	104.2310	0.000	1	104.2310	0.000	1	104.2310	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	101.4200	0.000	1	101.4200	0.000	1	101.4200	0.000	1	101.4200	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:4:	3:4:3:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	102.7210	0.000	1	102.7210	0.000	1	102.7210	0.000	1	102.7210	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:4:	4:4:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	101.7860	0.000	1	101.7860	0.000	1	101.7860	0.000	1	101.7860	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:4:	4:4:3:	4:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	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[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,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>}	103.5050	0.000	1	103.5050	0.000	1	103.5050	0.000	1	103.5050	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	100.1230	0.000	1	100.1230	0.000	1	100.1230	0.000	1	101.7580	5.346	2	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.3930	0.000	1	103.3930	0.000	1	103.3930	0.000	1	101.7580	5.346	2	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:2:	3:4:4:	4:2:1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	101.2840	0.314	2	101.2840	0.099	2	101.2840	0.099	2	101.2840	0.099	2	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<2>,8|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	101.6280	0.000	1	101.6280	0.000	1	101.6280	0.000	1	101.6280	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	3:3:4:	3:4:1:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O){2|C<4>,2|H<1>,3|C<3>}	103.8610	0.000	1	103.8610	0.000	1	103.8610	0.000	1	103.8610	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	3:4:3:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	103.7280	0.000	1	103.7280	0.000	1	103.7280	0.000	1	103.7280	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	102.7170	0.000	1	102.7170	0.000	1	102.7170	0.000	1	102.7170	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:3:4:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|H<1>}	100.8845	0.568	4	100.8845	0.323	4	100.8845	0.323	4	100.8845	0.323	4	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	101.7170	0.000	1	101.7170	0.000	1	101.7062	0.242	9	101.7062	0.242	9	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<3>,3|H<1>}	101.5580	0.000	1	101.7049	0.277	8	101.7062	0.242	9	101.7062	0.242	9	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	101.2415	0.177	2	101.7049	0.277	8	101.7062	0.242	9	101.7062	0.242	9	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	101.9196	0.553	5	101.7049	0.277	8	101.7062	0.242	9	101.7062	0.242	9	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:3:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	101.7050	0.000	1	101.0707	0.367	3	100.9488	0.304	4	100.9488	0.304	4	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:3:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	100.4980	0.000	1	101.0707	0.367	3	100.9488	0.304	4	100.9488	0.304	4	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:3:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	101.0090	0.000	1	101.0707	0.367	3	100.9488	0.304	4	100.9488	0.304	4	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:4:	4:4:3:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	100.5830	0.000	1	100.5830	0.000	1	100.9488	0.304	4	100.9488	0.304	4	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:2:3:	4:3:2:	4:3:1:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-2:	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)	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](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>}	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>}	C[5](C[5,6]C[5,6]2O[6])(C[5]N[5]C)(O){1|O<2>,4|C<3>}	99.2459	0.000	1	99.2459	0.000	1	99.2459	0.000	1	99.2459	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:1:	3:4:3:	4:3:1:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,4|C<3>}	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:1:	4:3:2:	4:3:1:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-3:S[5]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H){1|C<4>,3|C<3>}	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:1:	4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,5,6]H)(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]H)(O){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,5,6]H)(H){1|O<1>,2|O<2>,3|C<4>}	98.1274	0.000	1	98.1274	0.000	1	98.1274	0.000	1	98.1274	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:1:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	101.6380	0.000	1	101.6380	0.000	1	101.6380	0.000	1	101.6380	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:1:	4:4:3:	4:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]2H)(C[5,6]C[5,6]C)(C[5]C[5]H)(H){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CCC){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	100.2070	0.000	1	100.2070	0.000	1	100.2070	0.000	1	100.2070	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:2:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	100.6410	0.000	1	100.6410	0.000	1	100.6410	0.000	1	100.6410	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:3:	4:2:3:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO)	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]N)(COO)	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO){1|C<2>,1|N<2>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C){1|N<2>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5]N)(COO){1|C<2>,2|C<3>,2|O<2>}	100.2840	0.000	1	100.2840	0.000	1	100.2840	0.000	1	100.2840	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:3:	4:4:3:	4:3:1:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H){2|H<1>,8|C<3>}	100.5460	0.000	1	100.5460	0.000	1	100.5460	0.000	1	100.5460	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:3:	4:4:3:	4:4:1:	C[6,6]-4:C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5,6]HO)(O){2|C<3>,4|C<4>}	100.8130	0.000	1	100.8130	0.000	1	100.8130	0.000	1	100.8130	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:4:	3:4:3:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|H<1>,5|C<3>}	102.6320	0.000	1	102.6320	0.000	1	102.6320	0.000	1	102.6320	0.000	1	101.5240	2.899	54	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5,6]	4:3:3:1:	4:3:1:	4:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)2(O){3|C<3>,4|H<1>}	96.4827	0.184	4	96.4827	0.034	4	96.4827	0.034	4	96.4827	0.034	4	96.4827	0.034	4	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	2:2:3:3:	4:3:1:	4:4:3:	O[6]-2:O[6]-2:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)	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>}	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>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	103.5460	0.000	1	103.5460	0.000	1	103.5460	0.000	1	103.5460	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	102.5568	0.439	5	102.5568	0.193	5	102.5568	0.193	5	102.5735	0.156	6	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	102.6570	0.000	1	102.6570	0.000	1	102.6570	0.000	1	102.5735	0.156	6	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	3:4:3:	4:4:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	101.6650	0.000	1	101.6650	0.000	1	101.6650	0.000	1	101.6650	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:2:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O){1|C<4>,4|C<3>}	99.2718	0.174	2	99.2718	0.030	2	99.2718	0.030	2	99.2718	0.030	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:2:4:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	100.4900	0.000	1	100.4900	0.000	1	100.4900	0.000	1	99.7707	0.447	3	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:2:4:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	99.4110	0.345	2	99.4110	0.119	2	99.4110	0.119	2	99.7707	0.447	3	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	102.6160	0.000	1	102.6160	0.000	1	102.6160	0.000	1	102.2537	0.213	4	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	102.4080	0.000	1	102.4080	0.000	1	102.4080	0.000	1	102.2537	0.213	4	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	101.5770	0.000	1	101.5770	0.000	1	101.5770	0.000	1	102.2537	0.213	4	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.2537	0.213	4	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|N<3>,6|C<3>}	99.4212	0.381	2	99.4212	0.145	2	99.4212	0.145	2	99.4212	0.145	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:2:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	99.7354	0.000	1	99.7354	0.000	1	99.7354	0.000	1	99.7354	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	103.1520	0.000	1	103.1520	0.000	1	102.7740	0.177	3	102.3354	0.935	7	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	102.5850	0.375	2	102.5850	0.140	2	102.7740	0.177	3	102.3354	0.935	7	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	100.2700	0.000	1	100.2700	0.000	1	100.2700	0.000	1	102.3354	0.935	7	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N){2|H<1>,9|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	102.5740	0.000	1	102.5740	0.000	1	102.5853	0.112	3	102.3354	0.935	7	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O){2|H<1>,9|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	102.5910	0.472	2	102.5910	0.223	2	102.5853	0.112	3	102.3354	0.935	7	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	102.5955	0.095	2	102.5955	0.009	2	102.5955	0.009	2	102.5955	0.009	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:4:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:O[6]-2:	C[5,6a]-3:C[5,6]-4:O-1:	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])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[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>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](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>}	103.5780	0.000	1	103.5780	0.000	1	103.5780	0.000	1	103.5780	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:4:3:	4:3:2:	4:3:1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,2|H<1>,5|C<3>}	99.0546	0.000	1	99.0546	0.000	1	99.4253	0.275	2	99.4253	0.275	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:4:3:	4:3:2:	4:3:1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	99.7959	0.000	1	99.7959	0.000	1	99.4253	0.275	2	99.4253	0.275	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:3:4:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O){2|C<3>,3|C<4>,6|H<1>}	101.8310	0.000	1	101.8310	0.000	1	101.8310	0.000	1	101.8310	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:4:3:3:	3:4:1:	3:4:1:	C[5,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]2)(C[5]C[5,6a]O)2{2|O<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|H<1>,1|O<1>,7|C<3>}	101.9700	0.000	1	101.9700	0.000	1	101.9700	0.000	1	101.9700	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:4:3:3:	4:2:4:	4:3:1:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	99.8450	0.000	1	99.8450	0.000	1	99.8450	0.000	1	99.8450	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	102.8507	0.189	3	102.8507	0.036	3	102.8507	0.036	3	102.8507	0.036	3	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	3:4:3:3:	4:3:4:	4:2:2:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:O[5]-2:N-2:	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a])	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a]){2|C<4>,2|H<1>,3|C<3>}	101.3515	0.264	2	101.3515	0.070	2	101.3515	0.070	2	101.3515	0.070	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:2:	4:4:3:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5,6]-4:C[5]-4:C-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])	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]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>}	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>}	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O){3|C<3>,4|H<1>}	103.0070	0.000	1	103.0070	0.000	1	103.0070	0.000	1	103.0070	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	102.8170	0.000	1	102.8170	0.000	1	102.4297	0.113	3	102.4456	0.111	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	102.2360	0.021	2	102.2360	0.000	2	102.4297	0.113	3	102.4456	0.111	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	102.1410	0.000	1	102.4695	0.216	2	102.4695	0.216	2	102.4456	0.111	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	102.7980	0.000	1	102.4695	0.216	2	102.4695	0.216	2	102.4456	0.111	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:3:	4:3:1:	4:2:4:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	100.5525	0.302	2	100.5525	0.091	2	100.5525	0.091	2	100.5525	0.091	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	101.8510	0.000	1	101.8510	0.000	1	103.0712	0.633	5	103.0712	0.633	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	103.4870	0.000	1	103.4870	0.000	1	103.0712	0.633	5	103.0712	0.633	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	102.8680	0.000	1	102.8680	0.000	1	103.0712	0.633	5	103.0712	0.633	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	103.5750	0.566	2	103.5750	0.320	2	103.0712	0.633	5	103.0712	0.633	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:4:3:	4:3:2:	4:3:1:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	99.7336	0.000	1	99.7336	0.000	1	99.7336	0.000	1	99.8634	0.034	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:3:4:3:	4:3:2:	4:3:1:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	99.9932	0.000	1	99.9932	0.000	1	99.9932	0.000	1	99.8634	0.034	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	103.1510	0.160	2	103.1510	0.026	2	103.1510	0.026	2	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	102.2520	0.000	1	102.2520	0.000	1	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	102.2740	0.457	3	102.2740	0.209	3	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	102.8550	0.000	1	102.6167	0.062	3	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,3|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	102.4975	0.196	2	102.6167	0.062	3	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	101.6600	0.000	1	102.8273	0.849	6	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	102.7865	1.118	2	102.8273	0.849	6	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	103.6370	0.424	2	102.8273	0.849	6	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	3:4:1:	3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	102.4570	0.000	1	102.8273	0.849	6	102.6068	0.461	13	102.6793	0.434	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:2:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(O[5]N[5])(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(O[5]N[5])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	99.7355	0.000	1	99.7355	0.000	1	99.7355	0.000	1	99.7355	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>,3|H<1>}	99.6661	0.069	3	99.6661	0.005	3	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	99.0233	0.000	1	99.0233	0.000	1	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	100.4332	0.264	5	100.4332	0.070	5	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	99.8198	0.000	1	99.8198	0.000	1	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	99.9816	0.000	1	99.9816	0.000	1	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	99.9216	0.378	2	100.0728	0.140	3	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	100.3750	0.000	1	100.0728	0.140	3	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:2:4:	4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	100.8130	0.000	1	100.8130	0.000	1	100.0680	0.245	15	100.0680	0.245	15	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,3|H<1>}	100.1040	0.000	1	100.1040	0.000	1	100.1040	0.000	1	100.1040	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:3:1:	4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O){2|H<1>,2|O<2>,4|C<4>}	101.8330	0.000	1	101.8330	0.000	1	101.8330	0.000	1	101.8330	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:3:4:	4:2:2:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:O[5]-2:N-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a])	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	100.7855	0.011	2	100.7855	0.000	2	100.7855	0.000	2	100.7855	0.000	2	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:3:4:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[5]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	100.8470	0.000	1	100.8470	0.000	1	100.8470	0.000	1	100.8470	0.000	1	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	102.6760	0.000	1	102.6760	0.000	1	102.6760	0.000	1	103.1380	0.155	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	103.5370	0.000	1	103.1540	0.116	3	103.2535	0.117	4	103.1380	0.155	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	103.0420	0.000	1	103.1540	0.116	3	103.2535	0.117	4	103.1380	0.155	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	102.8830	0.000	1	103.1540	0.116	3	103.2535	0.117	4	103.1380	0.155	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5,6]	C[5]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5,5]N[5,5]C[5]C)(O){1|C<3>,1|O<1>,1|O<3>,1|S<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|O<1>,1|O<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	103.5520	0.000	1	103.5520	0.000	1	103.2535	0.117	4	103.1380	0.155	5	101.6394	2.007	96	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5,5]	3:3:4:4:	3:4:2:	3:4:2:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]N[5])2(CH3)2	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])2(CH3)2{4|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	97.2209	0.000	1	97.2209	0.000	1	97.2209	0.000	1	97.2209	0.000	1	97.2209	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5,6]	3:3:3:3:	3:4:3:	4:3:3:	C[5,5]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5,6]-3:C[6]-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[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H)	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[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|C<3>}	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H){1|O<1>,8|C<3>}	99.6687	0.000	1	99.6687	0.000	1	99.6687	0.000	1	99.6687	0.000	1	99.6687	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:1:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){1|C<3>,1|C<4>}	102.0800	0.000	2	102.0800	0.000	2	102.0800	0.000	2	102.0800	0.000	2	101.2723	4.471	9	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:1:	3:3:4:	3:4:3:	C[5,5]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(CC[6a]O)(H){4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O){4|C<3>}	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	101.2723	4.471	9	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O)	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[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O){1|C<4>,7|C<3>}	99.3957	0.040	2	99.3957	0.002	2	99.3957	0.002	2	99.3957	0.002	2	101.2723	4.471	9	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:1:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-3:B-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(BC[6a]2H)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>}	100.9550	0.000	1	100.9550	0.000	1	100.9550	0.000	1	100.9550	0.000	1	101.2723	4.471	9	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:N[5]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<3>,3|C<3>}	99.8892	0.000	1	99.8892	0.000	1	99.8892	0.000	1	100.4331	0.240	3	101.2723	4.471	9	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|C<4>,3|C<3>}	100.7050	0.190	2	100.7050	0.036	2	100.7050	0.036	2	100.4331	0.240	3	101.2723	4.471	9	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	103.0935	0.859	2	103.1880	0.396	3	103.1880	0.396	3	103.1880	0.396	3	102.7948	0.636	5	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	103.3770	0.000	1	103.1880	0.396	3	103.1880	0.396	3	103.1880	0.396	3	102.7948	0.636	5	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	102.7490	0.000	1	102.7490	0.000	1	102.7490	0.000	1	102.7490	0.000	1	102.7948	0.636	5	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	101.6610	0.000	1	101.6610	0.000	1	101.6610	0.000	1	101.6610	0.000	1	102.7948	0.636	5	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:1:	3:3:4:	4:3:1:	C[5,6]-3:C[5]-3:H-1:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<3>,1|C<4>}	103.1575	0.477	2	103.1575	0.228	2	103.1575	0.228	2	103.1575	0.228	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:1:	4:3:4:	4:3:1:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O){2|C<4>}	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:2:	3:3:4:	4:3:1:	C[5,6]-3:C[5]-3:C-2:C-2:	C[6]-3:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2{1|C<2>,1|C<4>,2|C<3>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<2>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O){1|C<3>,1|C<4>}	102.2483	0.411	3	102.2483	0.169	3	102.2483	0.169	3	102.2483	0.169	3	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6]){1|Si<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	102.7340	0.000	1	102.7340	0.000	1	102.7340	0.000	1	102.7340	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:1:	4:3:3:	4:2:2:	C[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:O[5]-2:N-2:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NO)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	98.3270	0.000	1	98.3270	0.000	1	98.3270	0.000	1	98.3270	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:2:	3:4:3:	4:2:3:	C[5,6]-3:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:C-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH){1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H){1|C<3>,1|C<4>}	99.7228	0.000	1	99.7228	0.000	1	99.7228	0.000	1	99.7228	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:2:	3:4:3:	4:3:2:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5]-4:C[5]-3:C-2:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN){3|C<3>,3|C<4>}	101.5210	0.000	1	101.5210	0.000	1	101.5210	0.000	1	101.5210	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:N[5,6]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5]C[5,6]C[6a]O)(C[5]N[5,6]Os)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Os<6>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]O)(C[5]N[5,6]Os)(H){1|N<2>,3|C<3>}	100.8660	0.228	2	100.8660	0.052	2	100.8660	0.052	2	100.8660	0.052	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:2:	4:3:4:	4:3:1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>}	101.5720	0.000	1	101.5720	0.000	1	101.5720	0.000	1	101.5720	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O)	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[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O){8|C<3>}	101.1580	0.000	1	101.1580	0.000	1	101.1580	0.000	1	101.1580	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:4:	4:3:3:	4:2:2:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5]-4:O[5]-2:N-2:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	98.5234	0.000	1	98.5234	0.000	1	98.5234	0.000	1	98.5234	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:1:	3:3:4:	4:3:4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH){1|Ru<8>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	103.7620	0.000	1	103.7620	0.000	1	103.7620	0.000	1	103.7620	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:1:	3:4:4:	4:3:1:	C[5,6]-3:C[5]-3:Si-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H){2|C<4>}	102.7650	0.000	1	102.7650	0.000	1	102.7650	0.000	1	102.7650	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:1:	4:3:4:	4:3:4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	102.4947	0.266	4	102.4947	0.071	4	102.4947	0.071	4	102.4947	0.071	4	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	101.6860	0.000	1	101.6860	0.000	1	101.4790	0.086	2	101.4790	0.086	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	101.2720	0.000	1	101.2720	0.000	1	101.4790	0.086	2	101.4790	0.086	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:4:	3:4:3:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	102.0740	0.000	1	102.1625	0.016	2	102.1625	0.016	2	102.1625	0.016	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:4:	3:4:3:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	102.2510	0.000	1	102.1625	0.016	2	102.1625	0.016	2	102.1625	0.016	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:4:	4:4:3:	4:2:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	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](C[5]C[5,6]CC)(O[5]C[5,6,6])(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	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>}	C[5](C[5]C[5,6]CC)(O[5]C[5,6,6])(O){1|C<3>,1|C<4>,1|O<2>}	103.6510	0.000	1	103.6510	0.000	1	103.6510	0.000	1	103.6510	0.000	1	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:4:3:1:	3:4:4:	4:3:3:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	103.5890	0.000	1	103.5890	0.000	1	103.2150	0.280	2	103.2150	0.280	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5,6]	C[5]	3:4:3:1:	3:4:4:	4:3:3:	C[5,6]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	102.8410	0.000	1	102.8410	0.000	1	103.2150	0.280	2	103.2150	0.280	2	101.9386	1.849	28	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:1:1:	3:4:3:	3:4:3:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	101.6580	0.000	1	101.6580	0.000	1	101.6580	0.000	1	101.6580	0.000	1	101.6580	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5,6]	3:3:1:1:	4:3:3:	3:4:2:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:P[5]-3:	C[5,6]-3:C[5]-4:C[6]-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(P[5]P[5]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2{1|H<1>,2|C<3>,2|P<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(P[5]P[5]2){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]){1|C<3>,1|P<3>,3|H<1>}	104.2480	0.000	1	104.2480	0.000	1	104.2480	0.000	1	104.2480	0.000	1	104.2480	0.000	1	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a])2(H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a])2(H)2{2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[5a]-3:C[5]-4:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,2|C<3>}	105.2070	0.000	1	105.2070	0.000	1	105.2070	0.000	1	105.5441	0.341	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2{1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	105.7290	0.512	2	105.7290	0.262	2	105.7290	0.262	2	105.5441	0.341	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|H<1>,1|N<3>,2|C<3>}	105.4010	0.320	2	105.5360	0.534	4	105.5360	0.534	4	105.5441	0.341	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,2|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>}	105.6710	1.195	2	105.5360	0.534	4	105.5360	0.534	4	105.5441	0.341	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	104.9950	0.000	1	104.9950	0.000	1	106.2348	2.233	10	106.2348	2.233	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:3:4:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2{1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	106.3726	1.516	9	106.3726	2.298	9	106.2348	2.233	10	106.2348	2.233	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]O)2(F)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5](C[5]C[5,5a]O)2(F)2{2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	106.5607	0.509	4	106.5607	0.259	4	106.6102	0.206	5	106.3341	0.360	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:F-1:F-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]O)2(F)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O)	C[5](C[5]C[5,5a]O)2(F)2{1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O){1|O<1>,2|C<3>}	106.8080	0.000	1	106.8080	0.000	1	106.6102	0.206	5	106.3341	0.360	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]O)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,2|C<3>}	105.6090	0.000	1	105.6090	0.000	1	105.6090	0.000	1	106.3341	0.360	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2{2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	105.6790	0.000	1	105.6790	0.000	1	105.6790	0.000	1	106.3341	0.360	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<6>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.5940	0.262	2	105.5940	0.068	2	105.5940	0.068	2	105.5940	0.068	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|N<3>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO){1|C<3>,1|O<1>}	103.8400	0.000	1	103.8400	0.000	1	103.8400	0.000	1	103.8400	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:1:	4:4:1:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	106.6590	0.000	1	106.6590	0.000	1	106.6590	0.000	1	106.6590	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:2:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O){3|C<3>}	102.1608	0.204	4	102.1608	0.042	4	102.1608	0.042	4	102.1608	0.042	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:2:	4:2:1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[5](C[5]C[5]HH)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(H)2{2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(O){1|C<3>}	101.2400	0.000	1	101.2400	0.000	1	101.2400	0.000	1	101.2400	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:2:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:S[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<3>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	105.2300	0.000	1	105.2300	0.000	1	105.2300	0.000	1	104.6730	0.620	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	104.1160	0.000	1	104.1160	0.000	1	104.1160	0.000	1	104.6730	0.620	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H){1|H<1>,3|C<3>}	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	105.2130	8.715	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	111.0440	0.000	1	111.0440	0.000	1	106.0235	11.218	4	105.2130	8.715	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	104.4255	0.111	2	104.3500	0.023	3	106.0235	11.218	4	105.2130	8.715	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	104.1990	0.000	1	104.3500	0.023	3	106.0235	11.218	4	105.2130	8.715	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:N-3:	N[5]-3:C[5]-4:N-3:	C[5](C[5]N[5]N)2(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC)	C[5](C[5]N[5]N)2(H)2{2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC){1|N<3>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC){1|N<3>,3|C<3>}	102.5820	0.000	1	102.5820	0.000	1	102.5820	0.000	1	105.2130	8.715	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)2	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ir)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)2{1|Ir<5>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ir){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|Ir<5>,1|C<3>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	103.1800	0.000	1	103.1800	0.000	1	103.1800	0.000	1	103.1800	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	3:4:3:	4:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2	C[5](C[5]C[3,5]H)(C[5]C[5]HH)(CC[6a]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[3,5]H)(C[5]C[5]HH)(CC[6a]C){1|O<1>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(O){1|C<3>,5|H<1>}	104.0240	0.000	1	104.0240	0.000	1	104.0240	0.000	1	104.0240	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:2:1:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]N)(COO)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{1|N<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,1|N<3>}	C[5](C[5]C[5]HH)(C[5]O[5]N)(COO){1|O<1>}	102.1690	0.000	1	102.1690	0.000	1	102.7270	0.623	2	102.7270	0.623	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:2:1:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH){1|O<1>}	103.2850	0.000	1	103.2850	0.000	1	102.7270	0.623	2	102.7270	0.623	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:2:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CCN)	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2{1|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(CCN){2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<3>}	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:2:4:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:S[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2{1|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<4>}	105.2210	0.000	1	105.2210	0.000	1	105.2210	0.000	1	105.2210	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:2:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2{1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]H)(H){1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H){2|H<1>}	103.5600	0.000	1	103.5600	0.000	1	103.5600	0.000	1	103.5600	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:Br-1:Br-1:	C[5]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)2(Br)2	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)2(Br)2{2|Br<1>}	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br){2|Br<1>}	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br){2|Br<1>}	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:Cl-1:Cl-1:	C[5]-4:C[5]-3:Cl-1:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)2	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)2(Cl)2{2|Cl<1>}	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	102.8465	0.374	2	102.8465	0.140	2	102.8465	0.140	2	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	102.9410	0.000	1	102.9410	0.000	1	104.1295	1.308	4	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	104.5257	1.010	3	104.5257	1.020	3	104.1295	1.308	4	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|N<2>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){2|H<1>}	103.4860	0.000	1	103.4860	0.000	1	103.4860	0.000	1	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](C[5]C[5]O)2(H)2{2|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	103.7103	2.109	3	103.7103	4.449	3	103.7103	4.449	3	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	104.0900	3.132	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){2|H<1>}	102.9410	0.000	1	102.9410	0.000	1	102.9410	0.000	1	102.9410	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){2|H<1>}	106.4975	1.196	2	106.4975	1.430	2	106.4660	0.718	3	106.4660	0.718	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CNNY)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CNNY){2|H<1>}	106.4030	0.000	1	106.4030	0.000	1	106.4660	0.718	3	106.4660	0.718	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	104.2170	0.000	1	104.2170	0.000	1	104.2170	0.000	1	104.2170	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:1:	4:4:2:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN){1|H<1>,1|O<1>}	104.0060	0.000	1	104.0060	0.000	1	104.0060	0.000	1	104.0060	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,3|C<3>}	103.9110	0.000	1	103.9110	0.000	1	103.9110	0.000	1	104.0645	0.047	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	104.2180	0.000	1	104.2180	0.000	1	104.2180	0.000	1	104.0645	0.047	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN){2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>}	104.0730	0.737	3	104.0730	0.543	3	103.7703	0.729	4	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	102.8620	0.000	1	102.8620	0.000	1	103.7703	0.729	4	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	104.1580	0.000	1	104.1580	0.000	1	104.8920	2.548	4	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,1|C<4>}	107.2820	0.000	1	107.2820	0.000	1	104.8920	2.548	4	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN){1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	103.9600	0.000	1	103.9600	0.000	1	104.8920	2.548	4	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|Si<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si){1|Si<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|C<3>,1|H<1>}	104.1680	0.000	1	104.1680	0.000	1	104.8920	2.548	4	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO){1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	103.2240	0.000	1	103.2240	0.000	1	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{2|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	103.7690	0.000	1	103.7690	0.000	1	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	103.1010	0.000	1	103.1010	0.000	1	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	105.0810	0.000	1	105.0810	0.000	1	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	103.6685	0.001	2	103.6685	0.000	2	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	104.1583	0.363	3	104.1583	0.132	3	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	103.5010	0.000	1	103.5010	0.000	1	103.8488	0.357	10	104.0632	0.976	18	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2{1|O<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH){1|C<4>,1|N<3>}	103.8420	0.000	1	103.8420	0.000	1	103.8420	0.000	1	103.8420	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:B-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|B<3>,1|H<1>}	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:4:	4:3:2:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OZr)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OZr){2|C<4>}	104.6880	0.000	1	104.6880	0.000	1	104.6880	0.000	1	104.6880	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)2(H)2{1|H<1>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>}	103.6200	0.000	1	103.6200	0.000	1	103.6200	0.000	1	103.6200	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){2|C<4>}	105.1000	0.245	2	105.1000	0.060	2	105.1000	0.060	2	106.3993	5.095	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)2	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]HH)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H)2{1|B<4>,1|W<6>}	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	C[5](C[5]C[5]HH)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	106.3993	5.095	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:3:4:	4:3:5:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-5:	C[5](C[5]C[5]C)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRu2CC)	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRu2CC){2|C<4>}	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	3:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]HH)(O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]HH)(O){1|C<3>,1|O<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,1|O<2>,4|C<4>}	104.4970	0.000	1	104.4970	0.000	1	104.4970	0.000	1	104.4970	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	3:4:4:	C[5]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(O){2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>}	105.1960	0.000	1	105.1960	0.000	1	105.1960	0.000	1	105.1960	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	4:2:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(O){3|H<1>}	105.0580	0.000	1	105.0580	0.000	1	105.0580	0.000	1	100.4835	41.852	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	4:2:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H){3|H<1>}	95.9090	0.000	1	95.9090	0.000	1	95.9090	0.000	1	100.4835	41.852	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	102.6360	0.000	1	102.6360	0.000	1	102.6360	0.000	1	102.6360	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(H)2	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]Ru2)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(H)2{1|Ru<4>,1|Ru<6>,1|P<5>}	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O){1|Ru<4>,1|O<1>}	C[5](C[5]C[5]Ru2)(C[5]C[5]HH)(O){1|O<1>,1|P<5>}	105.8000	0.000	1	105.9280	0.033	2	105.8233	0.049	3	105.8233	0.049	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(H)2	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]Ru2)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(H)2{1|Ru<5>,1|Ru<6>,1|P<5>}	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O){1|Ru<5>,1|O<1>}	C[5](C[5]C[5]Ru2)(C[5]C[5]HH)(O){1|O<1>,1|P<5>}	106.0560	0.000	1	105.9280	0.033	2	105.8233	0.049	3	105.8233	0.049	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(H)2	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(H)2{1|Ru<7>,2|P<5>}	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O){1|O<1>,1|P<5>}	C[5](C[5]C[5]RuP)(C[5]C[5]HH)(O){1|O<1>,1|P<5>}	105.6140	0.000	1	105.6140	0.000	1	105.8233	0.049	3	105.8233	0.049	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:2:	4:3:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:S[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5])	C[5](C[5]C[5]HH)(C[5]S[5]H)(H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]H)(H){1|C<4>}	102.6080	0.000	1	102.6080	0.000	1	102.6080	0.000	1	102.6080	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:1:	4:4:4:	4:2:1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<4>,2|H<1>}	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN){2|H<1>}	102.1640	0.000	1	102.1640	0.000	1	102.1640	0.000	1	102.1640	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O){1|O<1>,3|C<3>}	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC){1|Si<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O){1|C<3>,1|C<4>}	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1	102.4910	0.341	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	102.0780	0.000	1	102.0780	0.000	1	102.0780	0.000	1	102.4910	0.341	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaGa)(H)	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3){2|C<4>}	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:4:3:	3:4:1:	C[5]-3:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH)	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H){1|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,2|O<2>}	102.8830	0.000	1	102.8830	0.000	1	102.8830	0.000	1	105.1615	10.383	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:1:	4:4:3:	3:4:1:	C[5]-3:C[5]-3:O-2:H-1:	P[4,5]-4:C[5]-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H)	C[5](P[4,5]N[4]2N[5])(C[5]C[5]HO)(COO)	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O)	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H){1|C<4>,2|N<3>}	C[5](P[4,5]N[4]2N[5])(C[5]C[5]HO)(COO){1|O<1>,1|P<3>,3|C<4>}	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O){1|C<3>,2|N<3>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	105.1615	10.383	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(OC[6a])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	C[5](C[5]C[5,6a]O)2(OC[6a])2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	104.1958	0.272	5	104.1958	0.074	5	104.1958	0.074	5	104.1958	0.074	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:2:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-2:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.0640	0.000	1	100.0640	0.000	1	100.0640	0.000	1	100.0640	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:2:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]C)2(CN)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN)	C[5](C[5]C[5]C)2(CN)2{2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu){1|C<2>,1|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN){1|C<2>,1|C<3>}	100.3420	0.000	1	100.3420	0.000	1	100.3420	0.000	1	100.3420	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:O-2:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.7541	1.202	2	100.7541	1.445	2	100.7541	1.445	2	100.7541	1.445	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5])(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	104.1148	1.161	4	104.1148	1.349	4	104.7078	1.653	9	105.4496	3.100	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaMo)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaMo)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	105.0150	0.000	1	105.0150	0.000	1	104.7078	1.653	9	105.4496	3.100	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRh)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRh)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	107.2880	0.000	1	107.2880	0.000	1	104.7078	1.653	9	105.4496	3.100	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRu)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	104.5360	0.683	3	104.5360	0.467	3	104.7078	1.653	9	105.4496	3.100	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InRh)(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRh)(CH3){2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	107.2530	0.000	2	107.2530	0.000	2	107.6750	0.534	3	105.4496	3.100	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InRu)(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRu)(CH3){2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	108.5190	0.000	1	108.5190	0.000	1	107.6750	0.534	3	105.4496	3.100	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,2|C<3>}	104.9230	0.000	1	104.3657	0.407	3	104.3657	0.407	3	104.3657	0.407	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,2|C<3>}	104.0870	0.590	2	104.3657	0.407	3	104.3657	0.407	3	104.3657	0.407	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,4|C<3>}	102.1970	0.000	1	102.1970	0.000	1	102.1970	0.000	1	102.8820	0.938	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O){1|H<1>,1|O<1>,4|C<3>}	103.5670	0.000	1	103.5670	0.000	1	103.5670	0.000	1	102.8820	0.938	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[5]H)(H){2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	104.2840	0.000	1	104.2840	0.000	1	104.2840	0.000	1	104.2840	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|P<4>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|Se<1>,2|H<1>,8|C<3>}	104.1350	0.000	1	104.1350	0.000	1	104.1350	0.000	1	104.1350	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:4:3:	4:2:3:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:	C[5]-4:S[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]CH)(CCrO)	C[5](C[5]C[5]CH)(S[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]S[5]C)(CCH)(H){1|C<4>}	C[5](C[5]C[5]S[5])(C[5]C[5]CH)(CCrO){1|Fe<10>,1|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(S[5]C[5])(CCH){1|C<3>,1|C<4>}	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	102.3850	2.715	2	102.3850	7.373	2	102.3850	7.373	2	102.3850	7.373	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:2:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CC[6a]I)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]S)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CC[6a]I){1|S<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]S)(CCO){3|C<3>}	105.8540	0.000	1	105.8540	0.000	1	105.8540	0.000	1	105.8540	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:P[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(P[5]N[5]2)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(P[5]N[5]2)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	104.0040	0.000	1	104.0040	0.000	1	104.0040	0.000	1	104.1608	3.750	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	101.4800	0.000	1	101.4800	0.000	1	101.4800	0.000	1	104.1608	3.750	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H){1|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	105.4990	0.000	1	105.4990	0.000	1	105.5795	0.013	2	104.1608	3.750	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:3:1:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H){2|H<1>,4|C<3>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	105.6600	0.000	1	105.6600	0.000	1	105.5795	0.013	2	104.1608	3.750	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|O<1>}	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O){2|H<1>}	101.2710	0.000	1	101.2710	0.000	1	101.2710	0.000	1	103.6805	11.611	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	103.6805	11.611	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:3:	4:2:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.2540	0.000	1	105.2540	0.000	1	105.2540	0.000	1	105.2540	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	103.0650	0.006	2	103.0650	0.000	2	103.0650	0.000	2	102.8033	0.134	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCrO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCrO){1|H<1>,3|C<3>}	102.7930	0.000	1	102.7930	0.000	1	102.7930	0.000	1	102.8033	0.134	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO){1|S<4>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CHH){4|C<3>}	102.2900	0.000	1	102.2900	0.000	1	102.2900	0.000	1	102.8033	0.134	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:As-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(AsC[5]2)(H)	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsC[5]2)(H){2|C<4>}	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	104.1217	0.305	3	104.1217	0.093	3	104.1217	0.093	3	103.7427	0.391	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:4:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	103.2900	0.000	1	103.2900	0.000	1	103.0100	0.157	2	103.7427	0.391	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:4:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	102.7300	0.000	1	102.7300	0.000	1	103.0100	0.157	2	103.7427	0.391	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:3:4:	4:3:4:	Si[4]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	104.0710	0.000	1	104.0710	0.000	1	104.0710	0.000	1	103.7427	0.391	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:4:1:	4:3:4:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5a]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	102.2950	0.000	1	102.2950	0.000	1	102.2950	0.000	1	102.2950	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:4:1:	4:4:1:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O){1|C<4>,1|O<1>,3|C<3>}	102.8880	0.000	1	102.8880	0.000	1	102.8880	0.000	1	102.8880	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	103.6640	0.000	1	103.6640	0.000	1	103.6640	0.000	1	103.6640	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:4:3:	4:3:3:	C[5]-3:C[5]-3:C-3:H-1:	P[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]P[5]C)(COO)(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(COO)	C[5](C[5]C[5]CH)(C[5]P[5]P)(NCH)	C[5](C[5]C[5]N)(C[5]P[5]C)(COO)(H){1|P<3>,2|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(COO){1|N<3>,1|P<3>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]P[5]P)(NCH){3|C<3>}	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:4:4:	4:2:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:O[5]-2:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6]OO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6]OO){1|N<3>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NOO){1|H<1>,1|S<4>,3|C<3>}	98.9763	0.000	1	98.9763	0.000	1	98.6577	0.203	2	98.6577	0.203	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:1:	4:4:4:	4:2:3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:O[5]-2:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]O[5]N)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|N<3>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NOO){1|H<1>,1|S<4>,3|C<3>}	98.3392	0.000	1	98.3392	0.000	1	98.6577	0.203	2	98.6577	0.203	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	103.5386	4.865	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCC)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCC)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	101.8870	0.000	1	101.8870	0.000	1	102.3375	0.406	2	103.5386	4.865	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCN)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCN)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	102.7880	0.000	1	102.7880	0.000	1	102.3375	0.406	2	103.5386	4.865	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-3:S-2:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,2|H<1>}	105.2920	0.000	1	105.2920	0.000	1	105.2920	0.000	1	103.5386	4.865	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	101.3250	0.000	1	101.3250	0.000	1	101.3250	0.000	1	103.5386	4.865	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:N-3:C-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.0300	0.000	1	100.0300	0.000	1	100.0300	0.000	1	100.0300	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:1:	4:4:1:	C[5]-3:C[5]-3:C-3:O-2:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CO)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CO)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	102.6020	0.000	1	102.6020	0.000	1	102.6020	0.000	1	102.6020	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:2:	3:4:1:	C[5]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	103.3020	0.000	1	103.3020	0.000	1	103.3020	0.000	1	103.3020	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	101.2440	0.098	2	101.2440	0.010	2	101.2440	0.010	2	101.2440	0.010	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	3:4:4:	C[5]-3:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2{9|C<3>}	101.9250	0.413	2	101.9250	0.171	2	101.9250	0.171	2	101.9250	0.171	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]CO)(C[5]C[5]P)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC){1|C<3>,1|P<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO){1|O<1>,1|P<4>}	C[5](C[5]C[5]CO)(C[5]C[5]P)(O){2|C<3>}	102.1450	0.000	1	102.1450	0.000	1	102.1450	0.000	1	102.1450	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	102.9530	0.000	1	102.9530	0.000	1	102.5045	0.402	2	102.5045	0.402	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	102.0560	0.000	1	102.0560	0.000	1	102.5045	0.402	2	102.5045	0.402	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:4:1:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	102.3175	0.170	2	102.3175	0.029	2	102.3175	0.029	2	102.3175	0.029	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:2:	4:4:3:	4:4:1:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,2|H<1>}	103.8270	0.000	1	103.8270	0.000	1	103.8270	0.000	1	103.8270	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	104.3400	0.000	1	104.3400	0.000	1	104.3400	0.000	1	102.2176	0.644	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O){1|H<1>,1|O<1>,6|C<3>}	101.8568	0.746	5	101.8568	0.557	5	101.8568	0.557	5	102.2176	0.644	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:N-3:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(NC[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O)	C[5](C[5]C[5,6a]O)2(NC[6a]C)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	102.1870	0.118	3	102.1870	0.014	3	102.1870	0.014	3	102.2176	0.644	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:1:	3:4:1:	C[5a]-3:C[5a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2{1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	102.1610	0.317	4	102.1610	0.100	4	102.1610	0.100	4	102.2176	0.644	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-3:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.5250	0.000	1	100.5250	0.000	1	100.3280	0.078	2	100.3280	0.078	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-3:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.1310	0.000	1	100.1310	0.000	1	100.3280	0.078	2	100.3280	0.078	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|H<1>,5|C<3>}	102.3240	0.081	2	102.3240	0.006	2	102.3240	0.006	2	102.3240	0.006	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C-3:C-3:	N[5,6]-3:C[5]-4:C-3:	C[5,6]-3:C[5]-4:C-3:	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(CCC)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CC)(COO)	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO){1|C<3>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(CCC){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CC)(COO){4|C<3>}	101.5150	0.000	1	101.5150	0.000	1	101.5150	0.000	1	101.5150	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:2:4:	4:3:1:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]C[5]CN)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]CN)(N[5]N[5]C)(O){1|C<4>}	100.1900	0.160	2	100.1900	0.026	2	100.1900	0.026	2	100.1900	0.026	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:2:2:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:N-2:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]O[5]N)	C[5](C[5]C[6a]2C[5])(C[5]C[6a]O[5])(H)	C[5](C[5]C[6a]2C[5])(O[5]C[5])(NC)	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[5](C[5]C[6a]2C[5])(C[5]C[6a]O[5])(H){1|N<2>,6|C<3>}	C[5](C[5]C[6a]2C[5])(O[5]C[5])(NC){1|H<1>,5|C<3>}	99.5784	0.000	1	99.5784	0.000	1	99.5784	0.000	1	99.5784	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O)	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	100.1619	0.515	2	100.1619	0.265	2	100.1619	0.265	2	100.1619	0.265	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO)	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O){1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){1|O<1>,3|C<3>}	100.4380	0.000	1	100.4380	0.000	1	100.4380	0.000	1	100.4380	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:2:	4:4:3:	C[5]-3:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]O){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH){3|C<3>}	99.6063	0.000	1	99.6063	0.000	1	99.6063	0.000	1	99.6063	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:2:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH)	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO)	C[5](C[5]C[6a]C[5]N)(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO){1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]N)(O[5]C[5])(O){1|C<4>,3|C<3>}	100.1240	0.000	1	100.1240	0.000	1	100.1240	0.000	1	100.1240	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:2:2:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-2:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(COO)2	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]CC)(N[5]N[5])(OC)	C[5](C[5]N[5]C)(C[5]N[5]O)(COO)2{1|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H){1|O<2>}	C[5](C[5]C[5]CC)(N[5]N[5])(OC){2|C<3>}	98.2513	0.000	1	98.2513	0.000	1	98.2513	0.000	1	98.2513	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]Os)(H)	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[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Os<6>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]Os)(H){1|H<1>,5|C<3>}	100.5990	0.000	1	100.5990	0.000	1	100.5990	0.000	1	100.7283	0.202	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5]H)(O){4|C<3>}	101.2280	0.000	1	101.2280	0.000	1	100.7930	0.378	2	100.7283	0.202	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	100.3580	0.000	1	100.3580	0.000	1	100.7930	0.378	2	100.7283	0.202	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(CCH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){4|C<3>}	102.6580	0.000	1	102.6580	0.000	1	102.6580	0.000	1	102.6580	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:4:1:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[5,6]-4:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O)	C[5](C[5]C[6a]C[5]N)(N[5]C[5,6]H)(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]N)(O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]N)(N[5]C[5,6]H)(O){1|O<1>,2|C<3>,2|C<4>}	101.3230	0.000	1	101.3230	0.000	1	101.3230	0.000	1	101.3230	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:4:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCH)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCH){1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(O){2|H<1>,3|C<3>}	102.7180	0.000	1	102.7180	0.000	1	102.7180	0.000	1	102.7180	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:4:3:	4:3:3:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2	C[5](C[5]C[5]2Ru)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2{1|Ru<10>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2Ru)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|C<4>}	102.4690	0.000	1	102.4690	0.000	1	102.4690	0.000	1	102.4690	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:3:	4:4:3:	4:4:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CCH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|H<1>,2|C<3>}	103.7540	0.000	1	103.7540	0.000	1	103.7540	0.000	1	103.7540	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[6a]-3:S-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O){1|H<1>,1|O<1>,4|C<3>}	101.5810	0.000	1	101.5810	0.000	1	101.5810	0.000	1	101.5810	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	3:4:1:	4:3:4:	C[5]-3:C[5]-3:N-3:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O){2|C<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	102.7100	0.000	1	102.7100	0.000	1	102.7100	0.000	1	102.7100	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	101.5160	0.000	1	101.5160	0.000	1	100.8863	0.331	3	100.8863	0.331	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	100.5715	0.260	2	100.5715	0.067	2	100.8863	0.331	3	100.8863	0.331	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:2:3:	4:3:2:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-2:N-3:	C[5]-4:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](C[5]C[6a]C[5]C)(N[5]C[5])(NHH)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]S)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5])(NHH){1|C<2>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]S)(CN){1|N<3>,2|C<3>}	98.1302	0.525	4	98.1302	0.276	4	98.1302	0.276	4	98.1302	0.276	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:1:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	99.9448	0.000	1	99.9448	0.000	1	99.8681	0.012	2	99.8681	0.012	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:1:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<2>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	99.7913	0.000	1	99.7913	0.000	1	99.8681	0.012	2	99.8681	0.012	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:C[5]-3:C-1:	C[5]-4:C[5]-3:C-1:	C[5](C[5]C[5]C)2(GaClRu)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C)	C[5](C[5]C[5]C)2(GaClRu)(CH3){2|C<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C){2|C<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C){2|C<1>}	103.3150	0.000	1	103.3150	0.000	1	103.3150	0.000	1	102.2230	2.385	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	101.1310	0.000	1	101.1310	0.000	1	101.1310	0.000	1	102.2230	2.385	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|N<3>,3|C<3>}	100.1140	0.000	1	100.1140	0.000	1	100.1140	0.000	1	100.1140	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]Ru)(CHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]Ru)(CHH){1|H<1>,3|C<3>}	100.8800	0.000	1	100.8800	0.000	1	100.8800	0.000	1	100.8800	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:3:	4:4:1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	100.4410	0.000	1	100.4410	0.000	1	100.4410	0.000	1	100.4410	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:As-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(AsWW)(CH3)	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsWW)(CH3){2|C<4>}	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	105.2690	1.420	2	105.2690	2.016	2	105.2690	2.016	2	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(BC[5]C)(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	102.1775	0.438	4	102.1775	0.192	4	102.1300	0.125	6	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	102.0350	0.151	2	102.0350	0.023	2	102.1300	0.125	6	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[6a]C)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	101.1840	0.000	1	101.1840	0.000	1	102.1530	1.878	2	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CPtO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CPtO)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	103.1220	0.000	1	103.1220	0.000	1	102.1530	1.878	2	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	105.2615	0.269	2	105.2615	0.073	2	104.1652	0.805	6	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	103.3640	0.198	2	103.3640	0.039	2	104.1652	0.805	6	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRu2)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu2)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	103.8700	0.225	2	103.8700	0.051	2	104.1652	0.805	6	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(NLaN)(CH3)	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(NLaN)(CH3){2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	101.5490	0.000	1	101.5490	0.000	1	101.5490	0.000	1	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:O-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(OZn2)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(OZn2)(CH3){2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	101.0855	0.004	2	101.0855	0.000	2	101.0855	0.000	2	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	103.3840	0.000	1	103.3840	0.000	1	103.3860	0.000	2	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	103.3880	0.000	1	103.3880	0.000	1	103.3860	0.000	2	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	103.4120	0.000	1	103.4120	0.000	1	103.2907	0.020	3	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(SiSiN)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiN)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	103.2300	0.132	2	103.2300	0.017	2	103.2907	0.020	3	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	103.8610	0.000	1	103.8610	0.000	1	103.8610	0.000	1	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:3:4:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	103.8240	0.000	1	103.8240	0.000	1	103.8240	0.000	1	103.1025	1.765	26	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:4:1:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>}	101.8690	0.000	1	101.8690	0.000	1	101.3705	0.497	2	101.3705	0.497	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:4:1:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)2(O){2|C<4>}	100.8720	0.000	1	100.8720	0.000	1	101.3705	0.497	2	101.3705	0.497	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:4:	4:3:4:	4:4:3:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:P[5]-4:C-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>}	107.1320	0.000	1	107.1320	0.000	1	107.1320	0.000	1	107.1320	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:3:4:	3:4:3:	C[5]-3:C[5]-3:P-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	103.5710	0.000	1	103.5710	0.000	1	103.5710	0.000	1	103.5710	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:3:4:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>}	102.3700	0.000	1	102.3700	0.000	1	102.3700	0.000	1	102.3700	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:4:1:	3:4:3:	C[5]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-4:C-3:	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O){1|H<1>,1|O<1>,2|C<4>}	102.5390	0.000	1	102.5390	0.000	1	102.5390	0.000	1	102.5390	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|O<1>}	101.8740	0.024	2	101.8740	0.001	2	101.8740	0.001	2	101.8740	0.001	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:4:2:	4:2:1:	C[5]-3:C[5]-3:C-4:F-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5])	C[5](C[5]C[5]CF)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CF)(O[5]N[5])(O){1|C<3>}	100.6710	0.000	1	100.6710	0.000	1	100.6710	0.000	1	100.6710	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	103.3280	0.000	1	103.3280	0.000	1	103.3280	0.000	1	103.3280	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	3:4:4:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	101.7380	0.000	1	101.7380	0.000	1	101.7380	0.000	1	101.7380	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H){1|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]C)(H){1|O<1>}	101.2610	0.000	1	101.2610	0.000	1	101.2610	0.000	1	101.2610	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H){1|C<2>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<2>,1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	101.8455	0.066	2	101.8455	0.004	2	101.8455	0.004	2	101.8455	0.004	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:2:	3:4:1:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O){3|C<3>}	101.2250	0.000	1	101.2250	0.000	1	101.2250	0.000	1	101.2250	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,3|C<3>}	102.7840	0.000	1	102.7840	0.000	1	102.7840	0.000	1	102.7840	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|O<1>}	102.7790	0.000	1	102.7790	0.000	1	102.7790	0.000	1	102.7790	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	103.3060	0.000	1	103.3060	0.000	1	103.3060	0.000	1	103.0950	0.809	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	101.7870	0.000	1	101.7870	0.000	1	103.0247	1.184	3	103.0950	0.809	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	103.6435	0.267	2	103.6435	0.071	2	103.0247	1.184	3	103.0950	0.809	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:Cl-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(Cl){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	103.4110	0.000	1	103.4110	0.000	1	103.4110	0.000	1	103.1950	0.093	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(H){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	102.9790	0.000	1	102.9790	0.000	1	102.9790	0.000	1	103.1950	0.093	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>}	104.3200	0.000	1	104.3200	0.000	1	104.3200	0.000	1	104.3200	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[5]2C)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	103.0090	0.000	1	103.0090	0.000	1	103.5015	0.485	2	103.2919	0.170	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	103.9940	0.000	1	103.9940	0.000	1	103.5015	0.485	2	103.2919	0.170	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N){2|C<4>}	102.6120	0.000	1	102.6120	0.000	1	102.6120	0.000	1	103.2919	0.170	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(SiCCN)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiCCN)(H){2|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	103.1340	0.000	1	103.1340	0.000	1	103.3440	0.035	5	103.2919	0.170	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(SiSiCC)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiCC)(H){2|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	103.3965	0.170	4	103.3965	0.029	4	103.3440	0.035	5	103.2919	0.170	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:3:4:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>}	102.2330	0.000	1	102.2330	0.000	1	102.2330	0.000	1	102.2330	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:1:	4:4:1:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,2|C<4>}	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	102.2330	0.066	2	102.2330	0.004	2	102.4897	0.200	3	102.1802	0.575	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCHH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCHH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	103.0030	0.000	1	103.0030	0.000	1	102.4897	0.200	3	102.1802	0.575	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	102.4850	0.000	1	102.4850	0.000	1	101.7160	1.183	2	102.1802	0.575	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	100.9470	0.000	1	100.9470	0.000	1	101.7160	1.183	2	102.1802	0.575	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.0220	0.000	1	100.0220	0.000	1	100.0220	0.000	1	100.6980	0.914	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:S-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O)	C[5](C[5]C[5]CS)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CS)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	101.3740	0.000	1	101.3740	0.000	1	101.3740	0.000	1	100.6980	0.914	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:2:	3:4:1:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a]){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O){3|C<3>}	101.2805	0.233	2	101.2805	0.054	2	101.2805	0.054	2	101.2805	0.054	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){2|C<3>}	102.7555	0.914	2	102.7555	0.836	2	102.7555	0.836	2	102.7555	0.836	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	4:2:3:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	101.0190	0.000	1	101.0190	0.000	1	100.5120	0.514	2	100.5120	0.514	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	4:2:3:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	100.0050	0.000	1	100.0050	0.000	1	100.5120	0.514	2	100.5120	0.514	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	4:2:4:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]C[5]CO)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]N[5]C)(O){1|C<4>}	100.2270	0.000	1	100.2270	0.000	1	100.2270	0.000	1	100.2270	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:S-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO)	C[5](C[5]C[5]CS)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){2|C<4>}	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]CS)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	102.6070	0.000	1	102.6070	0.000	1	102.6070	0.000	1	102.6120	0.000	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:Se-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a])	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO)	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a]){2|C<4>}	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	102.6170	0.000	1	102.6170	0.000	1	102.6170	0.000	1	102.6120	0.000	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:2:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	102.4760	0.000	1	102.4760	0.000	1	102.4760	0.000	1	102.4760	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,1|H<1>}	100.4070	0.171	2	100.4070	0.029	2	100.4070	0.029	2	100.4070	0.029	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.4200	0.000	1	100.4200	0.000	1	100.4627	0.003	3	100.4627	0.003	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.4840	0.061	2	100.4840	0.004	2	100.4627	0.003	3	100.4627	0.003	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<3>,1|O<1>}	102.6660	0.000	1	102.6660	0.000	1	102.9855	0.204	2	102.9855	0.204	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	103.3050	0.000	1	103.3050	0.000	1	102.9855	0.204	2	102.9855	0.204	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:2:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	100.2060	0.000	1	100.2060	0.000	1	100.2060	0.000	1	100.2060	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){4|C<3>}	101.5910	0.000	1	101.5910	0.000	1	101.5910	0.000	1	101.5910	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:3:	4:2:3:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]C[5]CC)(O[5]C[5])(CHH)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5])(CHH){1|C<3>,1|C<4>}	100.0730	0.000	1	100.0730	0.000	1	100.0730	0.000	1	100.0730	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	101.4600	0.000	1	101.4600	0.000	1	101.4600	0.000	1	101.4600	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:2:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO){1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|O<1>}	101.2660	0.000	1	101.2660	0.000	1	101.2660	0.000	1	101.2660	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:2:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO)	C[5](C[5]C[5]CC)(N[5]C[5])(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5])(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH){1|H<1>}	101.0550	0.000	1	101.0550	0.000	1	101.0550	0.000	1	101.0550	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:2:4:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:N[5]-2:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]C[5]CC)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO){1|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(N[5]N[5]C)(O){1|C<4>}	100.4730	0.000	2	100.4730	0.000	2	100.4730	0.000	2	100.4730	0.000	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<4>,1|O<1>}	103.0137	0.371	3	103.0137	0.137	3	102.5643	0.264	8	102.4281	0.698	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	102.5790	0.000	1	102.5790	0.000	1	102.5643	0.264	8	102.4281	0.698	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	102.2235	0.409	4	102.2235	0.167	4	102.5643	0.264	8	102.4281	0.698	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C[5](C[5]C[5]CN)(N[5]C[5]C)(O)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CN)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	103.2430	0.000	1	103.2430	0.000	1	103.2430	0.000	1	102.4281	0.698	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:Si-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]SiC)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]SiC)(C[5]C[5]CH)(O){2|H<1>}	100.5240	0.000	1	100.5240	0.000	1	100.5240	0.000	1	102.4281	0.698	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	102.3110	0.000	1	102.3110	0.000	1	102.1750	0.037	2	103.0545	1.552	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(CNO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CNO){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	102.0390	0.000	1	102.0390	0.000	1	102.1750	0.037	2	103.0545	1.552	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:3:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:P-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(PIP)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	103.9340	1.235	2	103.9340	1.524	2	103.9340	1.524	2	103.0545	1.552	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:3:4:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){4|C<3>}	102.3650	0.000	1	102.3650	0.000	1	102.3650	0.000	1	102.3650	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:3:4:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>}	101.4400	0.000	1	101.4400	0.000	1	101.4400	0.000	1	101.4400	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCHH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CCHH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	102.6270	0.000	1	102.6270	0.000	1	102.8545	0.051	6	102.9514	0.109	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	102.8190	0.000	1	102.8190	0.000	1	102.8545	0.051	6	102.9514	0.109	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	102.8960	0.299	3	102.8960	0.090	3	102.8545	0.051	6	102.9514	0.109	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	102.9930	0.000	1	102.9930	0.000	1	102.8545	0.051	6	102.9514	0.109	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)2(CCCH)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,3|C<3>}	103.5330	0.000	1	103.5330	0.000	1	103.5330	0.000	1	102.9514	0.109	7	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.6366	0.814	4	100.6366	0.663	4	100.4251	0.238	19	100.4251	0.238	19	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.3230	0.000	1	100.3230	0.000	1	100.4251	0.238	19	100.4251	0.238	19	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.2678	0.302	10	100.2678	0.091	10	100.4251	0.238	19	100.4251	0.238	19	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	100.6323	0.538	4	100.6323	0.289	4	100.4251	0.238	19	100.4251	0.238	19	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(C[5]N[5]N)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]N)(O){1|C<3>,1|O<1>}	102.8250	0.000	1	102.8250	0.000	1	102.8250	0.000	1	102.4650	0.259	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)2(CH3)2	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<4>,1|O<1>}	102.1050	0.000	1	102.1050	0.000	1	102.1050	0.000	1	102.4650	0.259	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:2:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	100.0337	0.182	3	100.0337	0.033	3	100.0687	0.027	4	100.0687	0.027	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:2:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	100.1740	0.000	1	100.1740	0.000	1	100.0687	0.027	4	100.0687	0.027	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:2:	4:2:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[5]CC)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2{2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(O[5]N[5])(O){1|C<3>}	99.5747	0.000	1	99.5747	0.000	1	99.5747	0.000	1	99.5747	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:2:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<3>}	99.6088	0.000	1	99.6088	0.000	1	99.6088	0.000	1	99.6088	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:2:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5])	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<1>,5|C<4>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){2|C<3>,4|C<4>}	102.7700	0.000	1	102.7700	0.000	1	102.7700	0.000	1	102.7700	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	103.8980	0.000	1	103.8980	0.000	1	103.6277	0.079	6	103.6277	0.079	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	103.5460	0.000	1	103.5460	0.000	1	103.6277	0.079	6	103.6277	0.079	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	103.5805	0.320	4	103.5805	0.102	4	103.6277	0.079	6	103.6277	0.079	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])2(CH3)2	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])2(CH3)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	101.1840	0.236	2	101.1840	0.056	2	101.1840	0.056	2	101.3507	0.111	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CH3)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	101.6840	0.000	1	101.6840	0.000	1	101.6840	0.000	1	101.3507	0.111	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]C)2(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	103.8730	0.000	1	103.8730	0.000	1	103.8730	0.000	1	103.8730	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){2|C<3>}	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:4:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	103.8140	0.000	1	103.8140	0.000	1	103.7810	0.065	4	103.2082	1.690	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:4:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	103.5900	0.021	2	103.7700	0.097	3	103.7810	0.065	4	103.2082	1.690	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:4:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	104.1300	0.000	1	103.7700	0.097	3	103.7810	0.065	4	103.2082	1.690	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:4:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){2|H<1>,3|C<4>}	100.9170	0.000	1	100.9170	0.000	1	100.9170	0.000	1	103.2082	1.690	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	3:4:4:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]C)2(CH3)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	103.0840	0.000	1	103.0840	0.000	1	103.0840	0.000	1	103.0840	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]O[5]C)(H){1|O<1>}	100.4700	0.000	1	100.4700	0.000	1	100.4700	0.000	1	100.4700	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:2:3:	4:2:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-3:	C[5](C[5]N[5]C)2(CH3)2	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	C[5](C[5]N[5]C)2(CH3)2	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<3>}	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<3>}	97.5792	0.000	1	97.5792	0.000	1	97.5792	0.000	1	97.5792	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:2:3:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)2(CH3)2	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(CH3)2	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>}	97.4444	0.051	2	97.4444	0.003	2	97.4444	0.003	2	97.4444	0.003	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:2:3:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-2:N-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]CC)(N[5]N[5])(NHN)	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2{1|H<1>}	C[5](C[5]C[5]CC)(N[5]N[5])(NHN){1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|N<3>}	98.9576	0.000	1	98.9576	0.000	1	98.9576	0.000	1	98.9576	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:2:4:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)	C[5](C[5]C[5]CC)(C[5]O[5]H)(CN[6]O)	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]O[5]H)(CN[6]O){1|C<4>}	100.0600	0.000	1	100.0600	0.000	1	100.0600	0.000	1	100.0600	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:2:4:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-2:C-4:	C[5]-4:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH)	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH){1|C<4>}	98.4961	0.264	4	98.4961	0.070	4	98.4961	0.070	4	98.4961	0.070	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|Br<1>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br){1|C<3>,1|H<1>}	99.9044	0.000	1	99.9044	0.000	1	99.9044	0.000	1	101.3177	0.362	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]2)(O)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	101.2915	0.234	2	101.2915	0.055	2	101.4748	0.129	9	101.3177	0.362	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<3>,1|O<1>}	101.4470	0.000	1	101.5150	0.009	2	101.4748	0.129	9	101.3177	0.362	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	101.5830	0.000	1	101.5150	0.009	2	101.4748	0.129	9	101.3177	0.362	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CC)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|N<3>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]N)(O){1|H<1>,1|O<1>}	101.3338	0.180	4	101.3338	0.033	4	101.4748	0.129	9	101.3177	0.362	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	102.3250	0.000	1	102.3250	0.000	1	101.4748	0.129	9	101.3177	0.362	10	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|H<1>,1|O<1>}	102.7660	0.204	2	102.7660	0.041	2	102.8070	0.026	3	102.8070	0.026	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]CC)(N[5]C[5]O)(O)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CC)(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|O<1>,1|O<2>}	102.8890	0.000	1	102.8890	0.000	1	102.8070	0.026	3	102.8070	0.026	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){4|C<3>}	101.5500	0.000	1	101.5500	0.000	1	101.5500	0.000	1	101.5500	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2{1|Fe<5>,1|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H){1|C<3>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|Fe<5>,1|C<3>}	100.9860	0.011	2	100.9860	0.000	2	100.9860	0.000	2	100.9860	0.000	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:3:	4:3:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC){2|C<3>}	100.1380	0.000	1	100.1380	0.000	1	100.1380	0.000	1	100.1380	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H){1|C<4>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	101.8620	0.000	1	101.8620	0.000	1	101.8620	0.000	1	101.8620	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|H<1>}	102.9740	0.000	1	102.9740	0.000	1	102.9740	0.000	1	102.9740	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CSmOO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CSmOO)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	102.7050	0.000	1	102.7050	0.000	1	102.7050	0.000	1	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	104.5160	0.000	1	104.5160	0.000	1	104.4767	0.473	3	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRu3)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu3)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	104.4570	0.972	2	104.4570	0.944	2	104.4767	0.473	3	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Ga-4:Si-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	103.2980	0.000	2	103.2980	0.000	2	103.2980	0.000	2	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:In-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InCl2Rh)(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InCl2Rh)(CH3){2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	105.0180	0.000	2	105.0180	0.000	2	105.0180	0.000	2	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:In-4:Si-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InBr3)(SiCCN)	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InBr3)(SiCCN){2|C<4>}	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	103.3330	0.000	2	103.3330	0.000	2	103.3330	0.000	2	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PCOW)(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PCOW)(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	102.6875	0.196	2	102.6875	0.038	2	102.9900	0.294	3	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PHOW)(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PHOW)(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	103.5950	0.000	1	103.5950	0.000	1	102.9900	0.294	3	103.7233	0.825	13	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)2(O){2|C<4>}	101.6530	0.000	1	101.6530	0.000	1	101.8355	0.067	2	101.8355	0.067	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:3:4:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>}	102.0180	0.000	1	102.0180	0.000	1	101.8355	0.067	2	101.8355	0.067	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:O-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)(O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	102.6045	0.689	2	102.6045	0.475	2	102.3465	0.272	4	102.3465	0.272	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:O-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>}	102.0885	0.271	2	102.0885	0.073	2	102.3465	0.272	4	102.3465	0.272	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(O)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	102.2837	0.349	3	102.2837	0.122	3	102.2837	0.122	3	102.2837	0.122	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	103.3355	0.354	2	103.3355	0.126	2	103.5484	0.099	5	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	103.5930	0.000	1	103.5930	0.000	1	103.5484	0.099	5	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	103.7390	0.325	2	103.7390	0.106	2	103.5484	0.099	5	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	103.7785	0.289	2	103.7785	0.084	2	103.1213	1.337	3	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CH3)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	101.8070	0.000	1	101.8070	0.000	1	103.1213	1.337	3	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>}	102.9910	0.000	1	102.9910	0.000	1	103.3150	0.234	4	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|H<1>}	103.1405	0.286	2	103.1405	0.082	2	103.3150	0.234	4	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CHHO)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	103.9880	0.000	1	103.9880	0.000	1	103.3150	0.234	4	103.3638	0.375	12	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:3:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	102.7320	0.000	1	102.7320	0.000	1	102.7170	0.185	3	102.7170	0.185	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:4:	4:4:3:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	102.7095	0.607	2	102.7095	0.369	2	102.7170	0.185	3	102.7170	0.185	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:1:	3:4:2:	4:2:1:	C[5]-3:C-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[5]CH)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]N[5])(O){1|C<3>}	100.8400	0.000	1	100.8400	0.000	1	100.8400	0.000	1	100.8400	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:1:	4:3:4:	4:3:4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	103.8795	0.203	2	103.8795	0.041	2	103.8795	0.041	2	103.8795	0.041	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:1:	4:4:3:	4:3:1:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[6,6]C[5])(C[6]C[6]2O)(C[5]C[5]H)(H){4|C<4>,7|H<1>}	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<4>}	102.5480	0.000	1	102.5480	0.000	1	102.5480	0.000	1	102.5480	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:4:	3:4:2:	3:4:1:	C[5]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O){1|C<4>,5|C<3>}	99.2220	0.151	2	99.2220	0.023	2	99.2220	0.023	2	99.2220	0.023	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	103.2080	0.000	1	103.2080	0.000	1	103.2080	0.000	1	103.7560	0.238	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|O<1>,2|H<1>,4|C<3>}	103.9190	0.000	1	103.9190	0.000	1	104.0300	0.025	2	103.7560	0.238	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O)	C[5](C[6]C[6a]C[6]2)(C[5]C[5,6a]O)2(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|N<2>,1|O<1>,2|C<3>,3|C<4>}	104.1410	0.000	1	104.1410	0.000	1	104.0300	0.025	2	103.7560	0.238	3	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	3:4:2:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:F-1:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2F)(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2F)(O){1|N<3>,5|C<3>}	100.7450	0.000	1	100.7450	0.000	1	100.7450	0.000	1	100.7450	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	Ga[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H)	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H)	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H){3|Si<4>,3|H<1>,4|C<3>}	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	103.5845	0.408	2	103.5845	0.166	2	103.5845	0.166	2	103.5845	0.166	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:3:4:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	103.2190	0.266	2	103.2877	0.049	3	103.0814	0.110	5	103.0814	0.110	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:3:4:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	103.4250	0.000	1	103.2877	0.049	3	103.0814	0.110	5	103.0814	0.110	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:3:4:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	102.7720	0.146	2	102.7720	0.021	2	103.0814	0.110	5	103.0814	0.110	5	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:3:4:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Ir)(C[5]C[5]C)2(H)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Ir)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	103.0990	0.000	1	103.0990	0.000	1	103.0990	0.000	1	103.0990	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:1:	4:4:3:	4:4:1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,3|H<1>}	103.9720	0.000	1	103.9720	0.000	1	103.9720	0.000	1	103.9720	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:2:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	102.3370	0.209	2	102.3370	0.044	2	102.6097	0.212	4	102.6097	0.212	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:2:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	102.4990	0.000	1	102.4990	0.000	1	102.6097	0.212	4	102.6097	0.212	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:2:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	103.2660	0.000	1	103.2660	0.000	1	102.6097	0.212	4	102.6097	0.212	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:2:	3:4:1:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	C[5](N[5]C[6a]N[5])(C[5]C[5]2O)(O)	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2O)(O){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH){1|O<1>,1|O<2>,3|C<3>}	100.8655	0.302	2	100.8655	0.091	2	100.8655	0.091	2	100.8655	0.091	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|N<3>,2|H<1>,4|C<3>}	103.9350	0.000	1	103.9350	0.000	1	103.9350	0.000	1	102.3162	0.632	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O)	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,2|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O){1|H<1>,1|O<1>,7|C<3>}	101.9924	0.058	5	101.9924	0.003	5	101.9924	0.003	5	102.3162	0.632	6	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:3:	3:4:1:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]2N)(O)	C[5](C[5]C[5]2N)(N[5]N[5])(CH3)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2N)(O){1|C<4>,1|F<1>,4|C<3>}	C[5](C[5]C[5]2N)(N[5]N[5])(CH3){1|F<1>,1|O<1>,3|C<3>}	100.3340	0.000	1	100.3340	0.000	1	100.3340	0.000	1	100.3340	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:3:	4:3:3:	4:4:3:	C[6]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:C[5]-3:	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO)	C[5](C[5]C[6a]C[5]C[6])(CC[6a]PdC)(C[5]C[5]C)	C[5](C[6]C[6]2Pd)(C[6a]C[6a]2)(C[5]C[5]C)2{4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO){1|Pd<5>,2|C<4>,6|C<3>}	C[5](C[5]C[6a]C[5]C[6])(CC[6a]PdC)(C[5]C[5]C){1|C<4>,5|C<3>}	101.4040	0.000	1	101.4040	0.000	1	101.4040	0.000	1	101.4040	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:2:3:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	100.5930	0.000	1	100.5930	0.000	1	100.5930	0.000	1	100.5930	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:2:4:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-2:C-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]2C)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O)	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5]2C)(N[5]N[5])(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O){2|C<4>,4|C<3>}	100.5300	0.000	1	100.5300	0.000	1	100.5300	0.000	1	100.5300	0.000	1	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){2|C<3>,3|C<4>}	101.2750	0.000	2	101.2750	0.000	2	101.2750	0.000	2	101.9444	0.247	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H)	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	101.8065	0.322	2	101.8065	0.104	2	101.8065	0.104	2	101.9444	0.247	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	102.3720	0.188	2	102.3720	0.035	2	102.3480	0.013	4	101.9444	0.247	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	102.3240	0.040	2	102.3240	0.002	2	102.3480	0.013	4	101.9444	0.247	8	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	105.0120	0.000	1	105.0120	0.000	1	105.0120	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Ga[3,3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3){2|C<3>,3|C<4>}	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	104.5570	0.000	1	104.5570	0.000	1	104.5570	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	106.1630	0.839	2	106.1630	0.703	2	104.3380	1.785	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	103.5725	0.469	4	103.5725	0.220	4	104.3380	1.785	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	103.7500	0.000	1	103.7500	0.000	1	104.3380	1.785	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	103.5940	0.000	1	103.5940	0.000	1	103.5940	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	103.8470	0.000	1	103.8470	0.000	1	103.8470	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	103.1460	0.000	1	103.1460	0.000	1	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	103.0380	0.000	1	103.0380	0.000	1	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	103.4160	0.000	1	103.4160	0.000	1	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	102.4940	0.622	2	102.4940	0.387	2	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	102.3377	0.236	3	102.3377	0.055	3	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3){1|N<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	103.7010	0.000	1	103.7010	0.000	1	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	103.6640	0.000	1	102.9193	0.418	4	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	102.6710	0.508	3	102.9193	0.418	4	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	103.6890	0.000	1	103.5213	0.022	3	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	103.4375	0.032	2	103.5213	0.022	3	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	103.3620	0.000	1	103.3620	0.000	1	102.9944	0.330	17	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[4,6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3)	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3){1|C<3>,1|W<6>,5|C<4>}	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	102.7820	0.000	1	102.7820	0.000	1	102.7820	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	P[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3){2|H<1>,3|C<4>}	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	103.0940	0.000	1	103.0940	0.000	1	103.0940	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	102.8270	0.000	1	102.8270	0.000	1	102.3914	0.141	5	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	102.2825	0.330	4	102.2825	0.109	4	102.3914	0.141	5	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	103.0230	0.000	1	103.0230	0.000	1	103.0230	0.000	1	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	102.5910	0.048	2	102.5910	0.002	2	102.6756	0.053	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	102.3180	0.000	1	102.3180	0.000	1	102.6756	0.053	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	102.6890	0.000	1	102.6890	0.000	1	102.6756	0.053	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	102.9515	0.138	2	102.9515	0.019	2	102.6756	0.053	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:4:	4:3:4:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	102.6370	0.000	1	102.6370	0.000	1	102.6756	0.053	7	103.2062	0.899	43	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	5:3:3:4:	4:3:4:	4:3:4:	Si[3,3]-5:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3){1|N<3>,3|C<4>}	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	102.5045	0.606	2	102.5045	0.367	2	102.5045	0.367	2	102.5045	0.367	2	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	5:SP3_SP2_SP2	C[5]	C[5]	C[5]	6:3:3:4:	4:3:4:	4:3:4:	B[5x3]-6:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3)	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3){7|C<4>}	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	101.8515	0.256	4	101.8515	0.066	4	101.8515	0.066	4	101.8515	0.066	4	102.8469	4.161	559	102.0675	7.155	1084
474	818	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6]	C[5,6]	3:2:3:4:	4:4:3:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	105.2820	0.000	1	105.2820	0.000	1	105.4143	0.022	3	105.4143	0.022	3	105.4143	0.022	3	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6]	C[5,6]	3:2:3:4:	4:4:3:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	105.4805	0.136	2	105.4805	0.019	2	105.4143	0.022	3	105.4143	0.022	3	105.4143	0.022	3	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,5,6]	C[5,6]	3:3:3:4:	4:4:3:	4:3:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	103.1340	0.000	1	103.1340	0.000	1	103.1340	0.000	1	103.1340	0.000	1	103.1340	0.000	1	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5,6]	3:2:3:4:	4:3:3:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>}	105.5830	0.000	1	105.5830	0.000	1	105.5830	0.000	1	105.5830	0.000	1	105.9087	2.799	6	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5,6]	3:2:3:4:	4:3:4:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>}	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	105.9087	2.799	6	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5,6]	3:4:3:1:	4:3:4:	4:3:1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O){1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	106.6065	0.394	2	106.6065	0.155	2	106.6065	0.155	2	106.6065	0.155	2	105.9087	2.799	6	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5,6]	3:4:3:1:	4:4:3:	4:3:1:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]Si[3x5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	102.6870	0.000	1	102.6870	0.000	1	102.6870	0.000	1	102.6870	0.000	1	105.9087	2.799	6	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6]	C[5,6]	4:3:3:1:	4:4:3:	4:3:4:	P[5,5,6]-4:C[5,6,6]-3:C[5,6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O)	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]C)(C[5,5,6]P[5,5,6]C[5,6]H)(C[6]O[6]O){1|C<3>,1|P<4>,1|W<6>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	105.9087	2.799	6	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,5,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:1:	4:3:1:	4:3:2:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-2:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CC){1|C<3>,2|H<1>}	105.5255	0.098	4	105.5255	0.010	4	105.5255	0.010	4	105.5255	0.010	4	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:1:	4:3:1:	4:4:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN){1|C<3>,2|H<1>}	105.8020	0.000	1	105.8020	0.000	1	106.0915	0.168	2	106.0915	0.168	2	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:1:	4:3:1:	4:4:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH){1|C<3>,2|H<1>}	106.3810	0.000	1	106.3810	0.000	1	106.0915	0.168	2	106.0915	0.168	2	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:1:	4:3:3:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	107.1817	0.394	3	107.1817	0.155	3	107.1817	0.155	3	107.1817	0.155	3	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:1:	4:4:3:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]H)(H){1|C<3>,2|C<4>}	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:3:	4:3:3:	4:3:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C[3])(COO){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|O<2>,2|C<3>}	106.1120	0.000	1	106.1120	0.000	1	106.1120	0.000	1	106.1120	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:4:	4:3:3:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	105.3310	0.000	1	105.3310	0.000	1	105.8900	0.469	5	105.8900	0.469	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:4:	4:3:3:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	106.0050	0.000	1	106.0050	0.000	1	105.8900	0.469	5	105.8900	0.469	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:4:	4:3:3:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	105.5485	0.214	2	105.5485	0.046	2	105.8900	0.469	5	105.8900	0.469	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:4:	4:3:3:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	107.0170	0.000	1	107.0170	0.000	1	105.8900	0.469	5	105.8900	0.469	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	2:3:3:4:	4:4:1:	4:4:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,4|C<4>}	103.4320	0.000	1	103.4320	0.000	1	103.4320	0.000	1	103.4320	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:2:3:1:	4:4:3:	4:3:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	106.6390	0.000	1	106.6390	0.000	1	106.3394	0.216	5	106.3394	0.216	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:2:3:1:	4:4:3:	4:3:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCC){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	105.8240	0.000	1	105.8240	0.000	1	106.3394	0.216	5	106.3394	0.216	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:2:3:1:	4:4:3:	4:3:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	106.8190	0.000	1	106.8190	0.000	1	106.3394	0.216	5	106.3394	0.216	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:2:3:1:	4:4:3:	4:3:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]H)(H){1|C<3>,2|C<4>}	106.2075	0.493	2	106.2075	0.243	2	106.3394	0.216	5	106.3394	0.216	5	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:2:3:2:	4:3:4:	4:3:3:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:2:3:4:	4:4:1:	4:4:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<2>,2|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,2|H<1>,3|C<4>}	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:3:2:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	107.5362	1.192	4	107.5362	1.420	4	107.5362	1.420	4	107.5362	1.420	4	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:3:3:1:	4:3:3:	4:3:1:	C[5,6]-3:C[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|H<1>,3|C<3>}	107.3063	0.101	4	107.3063	0.010	4	107.3063	0.010	4	107.3063	0.010	4	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)2(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|H<1>,3|C<3>}	106.6547	0.184	3	106.6547	0.034	3	106.6547	0.034	3	106.6547	0.034	3	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:3:3:4:	4:3:4:	4:3:3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al){1|C<3>,3|C<4>}	111.3438	1.095	4	111.3438	1.198	4	111.3438	1.198	4	111.3438	1.198	4	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:4:3:4:	4:3:3:	4:3:4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	105.7480	0.991	2	106.4265	1.891	6	106.4265	1.891	6	106.4265	1.891	6	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:4:3:4:	4:3:3:	4:3:4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	107.6510	1.414	2	106.4265	1.891	6	106.4265	1.891	6	106.4265	1.891	6	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	3:4:3:4:	4:3:3:	4:3:4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Rh<6>,1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	105.8805	1.399	2	106.4265	1.891	6	106.4265	1.891	6	106.4265	1.891	6	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	102.2729	5.666	4	102.2729	32.105	4	103.3701	30.098	5	103.5831	24.351	6	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H){1|S<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]S)(H){1|C<3>,1|O<2>,3|H<1>}	107.7590	0.000	1	107.7590	0.000	1	103.3701	30.098	5	103.5831	24.351	6	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]H)(O){1|C<3>,4|H<1>}	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	103.5831	24.351	6	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl){2|Cl<1>,1|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	107.2090	0.666	2	107.2090	0.444	2	107.2090	0.444	2	107.0943	0.261	3	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SC[6a]OO)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	107.0943	0.261	3	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:1:	4:4:3:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHH){1|C<3>,4|H<1>}	104.0055	0.709	2	104.0055	0.503	2	104.0055	0.503	2	104.0055	0.503	2	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CNO){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	106.8230	0.027	2	106.8230	0.001	2	104.3550	18.273	3	104.3550	18.273	3	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:3:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|B<6>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(CCO){1|B<6>,1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|B<6>,2|C<3>,2|H<1>}	99.4191	0.000	1	99.4191	0.000	1	104.3550	18.273	3	104.3550	18.273	3	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:4:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]H)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(H){1|C<3>,3|C<4>,4|H<1>}	106.4750	0.134	4	106.4750	0.018	4	106.4750	0.018	4	106.4750	0.018	4	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,5]C[5,5,6]SnH)(C[5,6]C[5,6]H)2(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|Sn<2>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|Sn<2>,1|C<4>,3|H<1>}	71.7936	0.294	2	71.7936	0.087	2	71.7936	0.087	2	71.7936	0.087	2	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:3:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){2|C<3>,2|C<4>,4|H<1>}	101.1610	0.000	1	101.1610	0.000	1	101.1610	0.000	1	101.1610	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:2:	3:4:1:	4:4:3:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	C[5,5,6]-3:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,5,6]C[5,5]C[5,6]O)(H){2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	4:3:3:3:	4:3:3:	4:3:3:	B[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](B[5,5]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])2(C[6a]C[6a]2){11|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	104.1230	1.724	2	104.1230	2.972	2	104.1230	2.972	2	104.1230	2.972	2	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,5,6]	C[5,6]	C[5,6]	6:4:3:3:	4:3:1:	4:3:1:	B[5x3,5x5,20x6]-6:C[5,5]-4:C[5,6]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)2{1|C<3>,2|S<2>,5|B<6>,5|H<1>}	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	C[5,6](C[5,5,6]B[5x3,5x5,20x6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	102.8350	0.000	1	102.8350	0.000	1	102.8350	0.000	1	102.8350	0.000	1	105.1619	39.420	70	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:1:	3:4:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:1:	4:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(Cl){3|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2O)2(C[5,6,6]C[5,6,6]2){2|C<4>,2|O<2>,6|C<3>}	110.2390	0.535	4	110.2390	0.286	4	109.3021	1.132	8	109.3021	1.132	8	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){2|O<2>,8|C<3>}	108.3653	0.119	4	108.3653	0.014	4	109.3021	1.132	8	109.3021	1.132	8	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.3180	0.000	1	109.3180	0.000	1	110.0053	0.264	4	110.0053	0.264	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	3:4:3:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(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[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.2343	0.285	3	110.2343	0.081	3	110.0053	0.264	4	110.0053	0.264	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.1488	0.101	5	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]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[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	109.0875	0.331	4	109.0875	0.109	4	109.0875	0.109	4	109.1488	0.101	5	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	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]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	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]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	110.3140	0.000	1	110.3140	0.000	1	110.2225	0.017	2	110.2560	0.215	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	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]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	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]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	110.1310	0.000	1	110.1310	0.000	1	110.2225	0.017	2	110.2560	0.215	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){8|C<3>}	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	110.2560	0.215	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	110.2560	0.215	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	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]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	110.9340	0.658	9	110.9340	0.433	9	110.9340	0.433	9	110.9340	0.433	9	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	110.5940	0.000	1	110.5940	0.000	1	111.0980	0.508	2	110.4725	0.696	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	111.6020	0.000	1	111.6020	0.000	1	111.0980	0.508	2	110.4725	0.696	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:4:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	110.4725	0.696	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:3:4:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	110.4725	0.696	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]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[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	109.1070	0.000	1	110.4105	3.398	2	110.2957	1.739	3	110.2957	1.739	3	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	111.7140	0.000	1	110.4105	3.398	2	110.2957	1.739	3	110.2957	1.739	3	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	110.0660	0.000	1	110.0660	0.000	1	110.2957	1.739	3	110.2957	1.739	3	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	109.9780	0.205	4	109.9780	0.042	4	109.9780	0.042	4	109.9780	0.042	4	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	111.2060	0.000	1	111.2060	0.000	1	110.9605	0.121	2	110.9605	0.121	2	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:4:	4:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	110.7150	0.000	1	110.7150	0.000	1	110.9605	0.121	2	110.9605	0.121	2	110.0881	0.936	46	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6]	3:3:3:2:	3:4:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	111.9510	0.066	2	111.9510	0.004	2	111.9510	0.004	2	111.9510	0.004	2	111.9510	0.004	2	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6]	C[5,6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6,6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:1:	4:4:1:	C[4,5,4x6]-4:C[5,6]-3:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,6,6]-4:H-1:	C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H)	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H)	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H)	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H){1|C<4>,3|C<3>,3|H<1>}	33.8260	0.000	1	33.8260	0.000	1	33.8260	0.000	1	33.8260	0.000	1	33.8260	0.000	1	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6]-3:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	104.5570	0.000	1	104.5570	0.000	1	104.5570	0.000	1	104.5570	0.000	1	106.4235	1.753	4	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:2:	4:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	106.7465	0.276	2	106.7465	0.076	2	106.7465	0.076	2	106.7465	0.076	2	106.4235	1.753	4	106.5664	66.512	135
474	818	818	6:SP3_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:4:	4:4:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	106.4235	1.753	4	106.5664	66.512	135