466	622	727	0:SP3_SP2_SP2	C[6,6]	O[6]	C[5a,6]	3:4:3:2:	4:3:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	108.6280	0.791	2	108.6280	0.625	2	108.6280	0.625	2	108.6280	0.625	2	108.6280	0.625	2	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6,6]	O[6]	C[5a]	3:4:2:2:	4:3:	4:3:2:	C[5a]-3:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[5a]-3:S[5a]-2:	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6]C[6,6]C[6])	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6]C[6,6]C[6]){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	104.8150	0.000	1	104.8150	0.000	1	104.8150	0.000	1	105.8215	2.026	2	104.0613	10.308	3	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6,6]	O[6]	C[5a]	3:4:2:2:	4:3:	4:3:2:	C[5a]-3:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[5a]-3:S[5a]-2:	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	105.8215	2.026	2	104.0613	10.308	3	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6,6]	O[6]	C[5a]	3:4:3:2:	3:4:	4:3:2:	C[5a]-3:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6])	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a]){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	100.5410	0.000	1	100.5410	0.000	1	100.5410	0.000	1	100.5410	0.000	1	104.0613	10.308	3	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:2:3:1:	3:4:	3:4:3:	C[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,4|C<3>}	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:2:4:1:	3:4:	4:3:2:	C[5a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:3:2:3:	3:4:	4:3:2:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6])	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6]){1|S<2>,2|H<1>,6|C<3>}	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	107.7005	1.094	2	107.7005	1.197	2	107.7005	1.197	2	106.1797	7.537	3	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:3:2:3:	3:4:	4:3:2:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C)	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	103.1380	0.000	1	103.1380	0.000	1	103.1380	0.000	1	106.1797	7.537	3	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:3:2:4:	4:3:	3:4:3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H){1|H<1>,1|S<4>,5|C<3>}	108.0705	1.121	2	108.0705	1.256	2	108.0705	1.256	2	108.0705	1.256	2	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:4:2:1:	3:4:	3:3:4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H){1|C<4>,1|H<1>,4|C<3>}	106.0605	0.120	2	106.0605	0.014	2	106.0605	0.014	2	106.0605	0.014	2	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:4:2:1:	3:4:	3:4:3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|N<3>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	101.7010	0.000	1	101.7010	0.000	1	101.7010	0.000	1	101.7010	0.000	1	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:4:2:1:	4:3:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	106.9330	0.122	2	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:4:2:1:	4:3:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.9330	0.122	2	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	3:4:2:1:	4:3:	4:3:3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|H<1>}	106.2700	0.163	2	106.2700	0.026	2	106.2700	0.026	2	106.2700	0.026	2	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	104.8544	0.611	8	105.0917	0.354	13	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	105.1540	0.000	1	105.0917	0.354	13	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	105.5507	0.336	4	105.0917	0.354	13	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]O){3|C<3>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	106.0860	0.000	1	106.0860	0.000	1	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	104.9805	1.124	2	104.9805	1.262	2	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	106.1458	2.087	4	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	106.2467	1.141	3	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	105.2253	0.546	7	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	104.6346	0.457	5	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	105.0409	0.670	8	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	105.5570	0.950	2	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	106.3200	0.000	1	105.3611	1.095	30	105.2842	0.861	46	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	106.9660	0.000	1	106.9660	0.000	1	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	107.1195	0.220	2	106.3324	0.854	17	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	105.7060	0.000	1	106.3324	0.854	17	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	106.7386	1.089	7	106.3324	0.854	17	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|H<1>}	105.9850	0.000	1	106.3324	0.854	17	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	105.7265	0.639	4	106.3324	0.854	17	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP2	C[6]	O[6]	C[5a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	105.8220	0.621	2	106.3324	0.854	17	106.3676	0.826	18	105.5616	1.111	65	105.8125	2.394	79	105.8170	2.808	84
466	622	727	0:SP3_SP2_SP3	C[3x6]	O[6]	C[5a,6]	3:4:2:2:	4:4:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,2|O<2>}	108.2560	4.322	2	108.3480	12.142	8	108.3480	12.142	8	108.3480	12.142	8	108.3480	12.142	8	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[3x6]	O[6]	C[5a,6]	3:4:2:2:	4:4:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|C<3>,1|F<1>,1|S<2>,2|C<4>,2|O<2>}	108.6230	3.686	4	108.3480	12.142	8	108.3480	12.142	8	108.3480	12.142	8	108.3480	12.142	8	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[3x6]	O[6]	C[5a,6]	3:4:2:2:	4:4:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	107.8900	4.982	2	108.3480	12.142	8	108.3480	12.142	8	108.3480	12.142	8	108.3480	12.142	8	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6,6]	O[6]	C[5a,6]	3:3:2:4:	4:4:	3:4:3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	109.8292	8.656	5	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6,6]	O[6]	C[5a,6]	3:4:2:1:	4:4:	3:4:3:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,4|H<1>}	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	109.8292	8.656	5	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6,6]	O[6]	C[5a,6]	3:4:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	109.8292	8.656	5	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6,6]	O[6]	C[5a,6]	3:4:2:4:	4:4:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[5a,6]C[3x6]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3){2|C<3>,3|C<4>,6|H<1>}	O[6](C[6,6]C[5a,6]C[3x6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	107.6380	0.363	2	107.6380	0.132	2	107.6380	0.132	2	107.6380	0.132	2	109.8292	8.656	5	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:2:2:1:	4:4:	3:4:2:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){2|C<4>,2|H<1>}	107.8185	0.724	8	107.8185	0.524	8	107.7514	0.938	20	107.7809	0.876	22	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:2:2:1:	4:4:	3:4:2:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|H<1>,3|C<4>}	106.9825	0.957	2	107.7066	1.281	12	107.7514	0.938	20	107.7809	0.876	22	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:2:2:1:	4:4:	3:4:2:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|C<3>,3|C<4>}	107.8514	1.151	10	107.7066	1.281	12	107.7514	0.938	20	107.7809	0.876	22	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:2:2:1:	4:4:	3:4:2:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|S<2>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(S[5a]C[5a]){1|Br<1>,1|C<3>,2|C<4>}	108.0765	0.624	2	108.0765	0.390	2	108.0765	0.390	2	107.7809	0.876	22	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:2:2:4:	4:4:	3:3:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH)	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C){2|C<4>}	110.8580	2.598	2	110.8580	6.749	2	110.5270	2.126	6	110.5270	2.126	6	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:2:2:4:	4:4:	3:3:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3)	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C){2|C<4>}	110.3615	1.088	4	110.3615	1.184	4	110.5270	2.126	6	110.5270	2.126	6	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:3:2:1:	4:4:	4:3:2:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.9580	0.298	2	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:3:2:1:	4:4:	4:3:2:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|C<4>}	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	110.9580	0.298	2	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:1:	4:4:	3:4:3:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:1:	4:4:	4:2:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC)	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,3|C<4>}	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<4>}	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:1:	4:4:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	106.0140	0.000	1	106.0140	0.000	1	106.8575	0.598	4	106.8314	0.452	5	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:1:	4:4:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,4|H<1>}	107.1405	0.920	2	107.1387	0.423	3	106.8575	0.598	4	106.8314	0.452	5	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:1:	4:4:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,4|H<1>}	107.1350	0.000	1	107.1387	0.423	3	106.8575	0.598	4	106.8314	0.452	5	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:1:	4:4:	4:3:2:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	106.8314	0.452	5	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	3:4:2:2:	4:4:	4:2:2:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH){1|N<2>,1|S<2>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a]){3|C<4>,3|H<1>}	105.2925	0.578	2	105.2925	0.334	2	105.2925	0.334	2	105.2925	0.334	2	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	4:3:2:1:	4:4:	4:3:2:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H)	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H){1|C<3>,1|S<2>,2|C<4>,2|H<1>,2|O<2>}	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	108.0245	2.858	41	108.2395	4.690	54
466	622	727	0:SP3_SP2_SP3	C[6]	O[6]	C[5a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[3x6]C[6]O)(C[6]C[5a]C[6]H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6]C[3x6]C[6]O)(C[6]C[5a]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|H<1>}	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	108.0245	2.858	41	108.2395	4.690	54
466	622	727	6:SP3_SP2_SP2	C[6,6]	O[6]	C[5a,6,6]	3:2:4:1:	4:3:	3:3:4:	C[5a,6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H)	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H){1|C<4>,2|C<3>,4|H<1>}	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	108.0305	0.250	2	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6,6]	O[6]	C[5a,6,6]	4:3:2:1:	4:3:	3:3:4:	C[5,6]-4:C[5a,6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H)	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5a,6,6](C[5a,6]C[6,6a]O[5a])(C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]O[6]H)	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,7|C<3>}	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]O[5a])(C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]O[6]H){1|O<2>,7|C<3>}	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.0305	0.250	2	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6,6]	O[6]	C[5a,6]	3:2:4:4:	3:4:	3:4:2:	C[5a,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[5a,6]-3:C[6,6]-4:S[5a]-2:	C[6,6](C[5a,6]C[5a,6]S[5a])(O[6]C[6,6a])(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]2)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a])	C[6,6](C[5a,6]C[5a,6]S[5a])(O[6]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]2){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|S<4>,4|C<3>}	109.6340	0.000	1	109.6340	0.000	1	109.9202	0.110	4	110.2548	0.642	5	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH){2|C<3>}	109.8510	0.243	2	109.8510	0.059	2	109.9202	0.110	4	110.2548	0.642	5	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	110.3450	0.000	1	110.3450	0.000	1	109.9202	0.110	4	110.2548	0.642	5	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH){5|C<3>}	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	110.2548	0.642	5	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:4:2:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a]){3|C<3>}	112.0460	0.000	1	112.0460	0.000	1	111.5425	0.507	2	111.8080	3.185	4	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:4:2:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH){1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a]){1|H<1>,2|C<3>}	111.0390	0.000	1	111.0390	0.000	1	111.5425	0.507	2	111.8080	3.185	4	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:4:2:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|N<2>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	114.1670	0.000	1	112.0735	8.765	2	112.0735	8.765	2	111.8080	3.185	4	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:1:1:	3:4:	3:4:2:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|N<2>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|O<1>,3|C<3>}	109.9800	0.000	1	112.0735	8.765	2	112.0735	8.765	2	111.8080	3.185	4	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:2:4:1:	3:4:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H){1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH){1|C<4>,5|C<3>}	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:3:2:1:	3:4:	3:3:4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	107.9490	0.748	3	107.9490	0.559	3	107.9490	0.559	3	107.5753	0.415	6	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:3:2:1:	3:4:	3:3:4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	107.2017	0.247	3	107.2017	0.061	3	107.2017	0.061	3	107.5753	0.415	6	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP2	C[6]	O[6]	C[5a,6]	3:3:2:1:	3:4:	3:4:2:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a]){6|C<3>}	107.1080	0.000	1	107.1080	0.000	1	107.1080	0.000	1	107.1080	0.000	1	109.4058	4.163	17	109.1612	3.896	20
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:2:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6]2C[6])(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2{2|C<3>,2|C<4>,2|N<3>}	O[6](C[3x6]C[6,6]2C[6])(C[6]C[5a,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]O[5a]H)(C[6]O[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]O[5a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|N<2>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|H<1>,2|C<3>,2|C<4>}	110.4360	0.000	1	110.4360	0.000	1	110.8325	0.314	2	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<4>,2|H<1>,2|N<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	111.2290	0.000	1	111.2290	0.000	1	110.8325	0.314	2	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH){1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH){1|C<3>,2|C<4>}	109.1126	0.408	7	109.1126	0.166	7	109.1126	0.166	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]O[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	107.9420	0.099	2	107.9420	0.010	2	107.9420	0.010	2	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|N<2>,3|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|O<2>,2|C<4>}	110.3930	0.000	1	110.3930	0.000	1	111.0223	1.637	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|N<2>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,2|H<1>}	110.9000	2.753	2	110.9000	7.582	2	111.0223	1.637	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH){1|C<3>,2|C<4>,2|H<1>}	112.0950	0.000	1	112.0950	0.000	1	111.0223	1.637	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	111.0330	0.000	1	111.0330	0.000	1	111.0223	1.637	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	110.3510	0.000	1	110.3510	0.000	1	111.0223	1.637	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	111.4840	0.000	1	111.4840	0.000	1	111.0223	1.637	7	109.8475	2.118	21	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:1:1:	4:4:	3:4:2:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]O[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2{2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH){1|C<4>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]O[6]HH)(O[5a]C[5a]){2|C<4>,3|H<1>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:2:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO){2|C<3>,2|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO){1|C<4>,1|O<2>,3|H<1>}	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:2:1:	4:4:	3:4:2:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:4:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	108.2740	0.000	2	108.2740	0.000	2	109.4990	1.065	6	109.5076	0.891	8	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:4:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	110.5650	0.000	2	110.5650	0.000	2	109.4990	1.065	6	109.5076	0.891	8	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:4:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	109.6580	0.000	2	109.6580	0.000	2	109.4990	1.065	6	109.5076	0.891	8	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:4:1:	4:4:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH){1|C<4>,1|H<1>,3|C<3>}	109.5335	0.955	2	109.5335	0.913	2	109.5335	0.913	2	109.5076	0.891	8	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:2:4:4:	4:3:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:C-4:	C[6]-4:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC){1|H<1>,1|N<3>,3|C<3>}	105.1780	1.079	2	105.1780	1.164	2	105.1780	1.164	2	105.1780	1.164	2	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:3:2:1:	4:4:	3:3:4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]3){2|C<4>,4|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H){1|C<4>,4|C<3>,4|H<1>}	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:3:2:1:	4:4:	3:4:2:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]O[6]H)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]O[6]H)(N[5a]O[5a]){1|C<4>,2|H<1>,3|C<3>}	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:3:2:1:	4:4:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	108.5250	0.000	1	108.5250	0.000	1	108.3670	0.050	2	109.3616	1.337	5	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:3:2:1:	4:4:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	108.2090	0.000	1	108.2090	0.000	1	108.3670	0.050	2	109.3616	1.337	5	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:3:2:1:	4:4:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,4|C<3>}	109.4470	0.000	2	109.4470	0.000	2	110.0247	1.001	3	109.3616	1.337	5	109.4309	2.569	42	109.4309	2.569	42
466	622	727	6:SP3_SP2_SP3	C[6]	O[6]	C[5a,6]	3:3:2:1:	4:4:	3:4:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	111.1800	0.000	1	111.1800	0.000	1	110.0247	1.001	3	109.3616	1.337	5	109.4309	2.569	42	109.4309	2.569	42
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	3:3:2:2:	3:4:	4:3:4:	C[6,6]-3:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-4:	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	105.7490	0.086	2	105.7490	0.007	2	105.7490	0.007	2	105.7490	0.007	2	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	4:3:2:2:	3:4:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6]){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){4|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	104.5675	0.825	2	104.5675	0.681	2	104.5675	0.681	2	104.5675	0.681	2	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	4:3:2:2:	4:3:	4:4:1:	C[3x6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6])	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O){1|O<2>,2|C<4>,5|C<3>}	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	108.8040	1.656	2	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	4:3:2:2:	4:3:	4:4:1:	C[3x6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6])	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6,6a]O)	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]O[6]2)(C[3x6]C[6,6]2Cl)(O){1|O<2>,2|C<4>,5|C<3>}	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	108.8040	1.656	2	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	4:3:2:4:	3:4:	4:4:3:	C[6,6]-4:C[6,6]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6]){3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	4:3:3:2:	3:4:	4:3:3:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[3x6])(C[3x6]C[6,6]2C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[3x6])(C[3x6]C[6,6]2C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	4:3:4:2:	4:3:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-4:C[3x6]-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6])	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,6|H<1>}	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	101.5630	0.000	1	101.5630	0.000	1	101.5630	0.000	1	101.5630	0.000	1	105.9861	5.516	9	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6]	4:2:3:2:	3:4:	4:3:1:	C[3x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6])	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6,6a]H)(H)	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	104.7810	0.680	2	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6]	4:3:3:2:	3:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[3x6]-4:	C[6,6a]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[3x6])(C[3x6]C[6,6]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[3x6])(C[3x6]C[6,6]2C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O){2|C<4>,2|H<1>,5|C<3>}	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	104.7810	0.680	2	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[4x6]	O[6]	C[6,6]	4:4:3:2:	4:3:	4:2:1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:O[6]-2:	C[4x6]-4:C[6]-3:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6])	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]O)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(O[6,6]C[3x6])(O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(O[6,6]C[3x6])(O){1|C<3>,3|H<1>,4|C<4>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6]){1|H<1>,8|C<3>}	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	100.8860	0.000	1	100.8860	0.000	1	100.8860	0.000	1	100.8860	0.000	1	106.1210	20.560	3	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:1:	3:4:	4:3:4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	108.7385	0.108	2	108.7385	0.012	2	108.7385	0.012	2	108.7385	0.012	2	106.1210	20.560	3	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:2:3:3:	3:4:	4:3:1:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,3|C<3>}	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:2:4:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	103.9050	0.000	1	103.9050	0.000	1	104.8275	1.702	2	104.8275	1.702	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:2:4:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	105.7500	0.000	1	105.7500	0.000	1	104.8275	1.702	2	104.8275	1.702	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	3:4:	4:3:1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O){1|O<2>,4|C<3>}	107.5585	1.419	2	107.5585	2.014	2	107.1737	1.451	3	107.1737	1.451	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	3:4:	4:3:1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O){1|O<2>,4|C<3>}	106.4040	0.000	1	106.4040	0.000	1	107.1737	1.451	3	107.1737	1.451	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	3:4:	4:3:3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	105.9775	0.930	2	106.0657	0.456	3	106.0657	0.456	3	106.0657	0.456	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	3:4:	4:3:3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	106.2420	0.000	1	106.0657	0.456	3	106.0657	0.456	3	106.0657	0.456	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	4:3:	4:3:1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O){1|O<2>,4|C<3>}	107.4910	1.653	2	107.4910	2.733	2	107.8977	1.863	3	107.8977	1.863	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	4:3:	4:3:1:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O){1|O<2>,4|C<3>}	108.7110	0.000	1	108.7110	0.000	1	107.8977	1.863	3	107.8977	1.863	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	4:3:	4:3:3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	107.0190	0.134	2	107.1280	0.045	3	107.1280	0.045	3	107.1280	0.045	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:3:3:2:	4:3:	4:3:3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	107.3460	0.000	1	107.1280	0.045	3	107.1280	0.045	3	107.1280	0.045	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:1:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H){1|O<1>,3|C<3>}	106.3835	0.380	2	106.3835	0.144	2	106.3835	0.144	2	106.3835	0.144	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:2:3:2:	4:3:	4:2:1:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C)	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O){3|C<3>,3|C<4>}	103.4390	0.000	1	103.4390	0.000	1	103.4390	0.000	1	103.4390	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:2:3:3:	3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|H<1>,6|C<3>}	107.5703	2.953	4	107.5703	8.723	4	107.5703	8.723	4	107.5703	8.723	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:2:4:3:	3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|C<4>,2|H<1>,5|C<3>}	106.8767	0.798	3	106.8767	0.636	3	106.8767	0.636	3	107.7715	3.627	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:2:4:3:	3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	107.7715	3.627	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:2:4:	3:4:	3:4:1:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|H<1>,5|C<3>}	105.1570	0.000	1	105.1570	0.000	1	105.1570	0.000	1	105.1570	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:2:4:	4:3:	4:3:1:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|O<1>,3|C<3>}	104.6850	1.290	2	104.6850	1.663	2	104.6850	1.663	2	104.6850	1.663	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:3:2:	4:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	106.3893	1.465	4	106.3893	2.147	4	106.3893	2.147	4	106.3893	2.147	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:4:2:	4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	107.0740	0.000	1	107.0740	0.000	1	107.0740	0.000	1	107.0740	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:2:2:	3:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-3:C[6,6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6]){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	104.6655	0.275	2	104.6655	0.076	2	104.6655	0.076	2	104.6655	0.076	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:2:3:	3:4:	3:4:1:	C[6]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,4|C<3>,4|H<1>}	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:2:3:	3:4:	4:3:1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]O[6])(H){1|C<4>,2|H<1>,5|C<3>}	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	107.4335	4.110	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:2:3:	3:4:	4:3:1:	C[6]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H)	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	107.4335	4.110	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:4:2:	3:4:	3:4:1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6,6]-4:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H)	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(H){1|C<3>,5|C<4>,6|H<1>}	105.6500	0.000	1	105.6500	0.000	1	105.6500	0.000	1	106.1460	0.492	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:4:2:	3:4:	3:4:1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6]){4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){2|C<4>,3|C<3>,5|H<1>}	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	106.1460	0.492	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:2:3:1:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	111.2200	0.000	1	111.2200	0.000	1	111.4100	0.072	2	111.4100	0.072	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:2:3:1:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.6000	0.000	1	111.6000	0.000	1	111.4100	0.072	2	111.4100	0.072	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:2:3:2:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:2:3:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]C)(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,3|C<3>}	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.1850	0.000	1	110.1850	0.000	1	107.6035	3.131	4	107.6035	3.131	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	106.1680	0.000	1	106.7430	0.254	3	107.6035	3.131	4	107.6035	3.131	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.9510	0.000	1	106.7430	0.254	3	107.6035	3.131	4	107.6035	3.131	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	107.1100	0.000	1	106.7430	0.254	3	107.6035	3.131	4	107.6035	3.131	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:2:	3:4:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH)	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH){2|H<1>,4|C<3>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O){2|C<3>,2|C<4>,3|O<2>}	107.5350	0.000	1	107.2957	0.158	4	107.2957	0.158	4	107.2957	0.158	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:2:	3:4:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH)	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH){2|H<1>,4|C<3>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O){2|C<3>,2|C<4>,3|O<2>}	107.2160	0.447	3	107.2957	0.158	4	107.2957	0.158	4	107.2957	0.158	4	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:2:	4:2:	4:4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:2:	4:3:	4:3:4:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	105.8560	0.000	1	105.8560	0.000	1	105.8560	0.000	1	105.8560	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:2:	4:3:	4:4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]O[6]O)(O)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH){1|O<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]O[6]O)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:4:	3:4:	3:4:1:	C[6]-4:C[6]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(O[6]C[6,6a])(C[6]C[6]HH){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	99.1252	0.000	1	99.1252	0.000	1	99.1252	0.000	1	99.1252	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:3:2:4:	3:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	104.9600	0.000	1	104.9600	0.000	1	104.9600	0.000	1	104.9600	0.000	1	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:2:3:	3:4:	4:3:1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){1|C<3>,2|C<4>,6|H<1>}	105.0210	0.000	1	105.0210	0.000	1	101.3657	26.722	2	101.3657	26.722	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:2:3:	3:4:	4:3:1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	97.7104	0.000	1	97.7104	0.000	1	101.3657	26.722	2	101.3657	26.722	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:2:3:	3:4:	4:4:1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6]HH)(O)	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6]HH)(O){1|C<3>,3|C<4>,5|H<1>}	109.0680	0.890	2	109.0680	0.791	2	108.5053	1.345	3	108.5053	1.345	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:2:3:	3:4:	4:4:1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(O){1|C<3>,4|C<4>,4|H<1>}	107.3800	0.000	1	107.3800	0.000	1	108.5053	1.345	3	108.5053	1.345	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:3:2:	4:3:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,5|C<4>}	105.0850	0.000	1	105.0850	0.000	1	105.0850	0.000	1	106.3840	1.801	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:3:2:	4:3:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.0335	1.034	2	107.0335	1.070	2	107.0335	1.070	2	106.3840	1.801	3	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:3:2:	4:3:	4:3:2:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]OO)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]OO)(C[6]C[6]O)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,4|O<2>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	107.5375	0.043	2	107.5375	0.002	2	107.5375	0.002	2	107.5375	0.002	2	106.7848	6.290	68	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:2:	3:4:	4:3:3:	C[6]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	101.6720	0.000	1	101.6720	0.000	1	101.6720	0.000	1	101.6720	0.000	1	104.0775	8.202	6	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	4:3:	4:3:3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6])	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	101.3050	0.000	1	101.3050	0.000	1	101.3050	0.000	1	101.3050	0.000	1	104.0775	8.202	6	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:4:	4:3:	4:3:3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	O[6](C[6]C[6]N[6]C)(C[6]C[6]C)	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6]N[6]C)(C[6]C[6]C){5|C<3>}	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|C<3>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	104.0775	8.202	6	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:1:	4:3:	4:3:3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	O[6](C[6]C[6]2H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	104.0775	8.202	6	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:2:	3:4:	4:3:3:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	103.4840	0.810	2	103.4840	0.657	2	103.4840	0.657	2	103.4840	0.657	2	104.0775	8.202	6	106.4666	6.814	89
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6]	4:2:3:3:	4:4:	4:3:1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6]-3:Br-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O)	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br){2|H<1>,4|C<4>}	108.7383	0.638	3	108.7383	0.407	3	108.7383	0.407	3	108.7383	0.407	3	108.7383	0.407	3	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6]	4:3:2:2:	4:4:	4:4:3:	C[5x6]-4:C[6,6]-3:O[6]-2:O-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC)	O[6](C[3x6]C[5x6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC){2|C<3>,3|C<4>,5|H<1>}	O[6](C[3x6]C[5x6]C[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH){2|C<3>,2|C<4>,2|H<1>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.6560	0.223	2	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6]	4:3:4:2:	4:4:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[3x6]C[6,6]2C[6])(C[6]C[5a,6]HH)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,3|C<3>,9|H<1>}	O[6](C[3x6]C[6,6]2C[6])(C[6]C[5a,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.6560	0.223	2	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:2:3:2:	4:4:	4:3:1:	C[3x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6,6a]H)(H)	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	109.5547	5.302	3	108.0297	7.114	6	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:2:3:2:	4:4:	4:3:1:	C[4x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6])	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H)	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H){1|Cl<1>,1|C<3>,2|H<1>,5|C<4>}	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H){1|Cl<1>,1|O<1>,4|C<4>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5547	5.302	3	108.0297	7.114	6	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:2:3:2:	4:4:	4:3:1:	C[4x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6])	O[6](C[3x6]C[4x6]C[6]O[6])(C[6]C[6,6]HH)	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H){1|Cl<1>,1|O<1>,4|C<4>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	109.5547	5.302	3	108.0297	7.114	6	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:4:3:2:	4:4:	4:3:1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HO)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H){4|H<1>,5|C<4>}	103.7950	0.000	1	103.7950	0.000	1	105.8270	8.258	2	106.5047	5.507	3	108.0297	7.114	6	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:4:3:2:	4:4:	4:3:1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6]){1|C<3>,3|C<4>,7|H<1>}	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	107.8590	0.000	1	107.8590	0.000	1	105.8270	8.258	2	106.5047	5.507	3	108.0297	7.114	6	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:4:3:2:	4:4:	4:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:O-1:	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]O[6]CC)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(O)	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]O[6]CC){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(O){1|O<2>,7|C<4>}	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	106.5047	5.507	3	108.0297	7.114	6	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6]	4:3:2:3:	4:4:	4:4:3:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:C[3x6]-4:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	109.8395	0.861	6	109.8395	0.742	6	109.8395	0.742	6	109.8395	0.742	6	109.1729	2.110	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6]	4:3:2:4:	4:4:	4:4:3:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:C[3x6]-4:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H){1|O<2>,5|H<1>,8|C<4>}	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	107.1730	0.394	2	109.1729	2.110	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6]	4:3:2:4:	4:4:	4:4:3:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:C[3x6]-4:	C[5,6,6]-4:C[4x6]-4:C[6]-3:	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O)	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]O[6])(C[4x6]C[4x6]O[6,6]C[6])(C[6]C[6]H){1|O<2>,5|H<1>,9|C<4>}	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.1730	0.394	2	109.1729	2.110	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6]	4:3:2:3:	4:4:	4:3:1:	C[6,6]-4:C[3x6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:C[5,6,6]-4:	C[4x6]-4:C[6,6a]-3:O-1:	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]C)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]C){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	105.5135	0.482	2	105.5135	0.232	2	105.5135	0.232	2	105.5135	0.232	2	105.7196	1.322	9	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6]	4:3:2:3:	4:4:	4:4:1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:C[3x6]-4:	C[4x6]-4:C[6]-4:O-1:	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O){2|C<3>,6|C<4>}	106.4332	0.762	5	106.4332	0.580	5	106.4332	0.580	5	106.4332	0.580	5	105.7196	1.322	9	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6]	4:4:2:3:	4:4:	4:4:1:	C[4x6]-4:C[6,6]-4:O[6,6]-2:C[6]-3:	C[4x6]-4:C[3x6]-4:	C[4x6]-4:C[6]-4:O-1:	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(O)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){5|C<4>,9|H<1>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2H){1|O<1>,5|H<1>,6|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,8|C<4>}	104.1415	0.641	2	104.1415	0.411	2	104.1415	0.411	2	104.1415	0.411	2	105.7196	1.322	9	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[4x6]	O[6]	C[6,6]	4:3:3:2:	4:4:	4:4:1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:O[6]-2:	C[4x6]-4:C[6]-4:	C[4x6]-4:C[5,6,6]-4:O-1:	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6])	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O)	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O){2|C<3>,3|C<4>,3|H<1>}	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:3:4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.3150	0.036	2	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:4:	3:4:4:	C[4x6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.3150	0.036	2	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	2:3:4:4:	4:4:	4:4:1:	O[6]-2:C[6]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2	O[6](C[3,6,6]C[3,6,6]C[4x6]O[3])(C[6,6]C[6]3)	C[6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2O[6])(O)	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2{1|O<2>,2|H<1>,7|C<4>}	O[6](C[3,6,6]C[3,6,6]C[4x6]O[3])(C[6,6]C[6]3){1|O<1>,4|H<1>,7|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6,6]C[6]2O[6])(O){1|O<2>,6|C<4>,8|H<1>}	103.1620	0.000	1	103.1620	0.000	1	103.1620	0.000	1	103.1620	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:Br-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br){1|C<4>,3|C<3>}	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.6217	0.599	4	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	109.7440	0.000	1	109.7440	0.000	1	108.6527	0.893	3	108.6217	0.599	4	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	108.0960	0.000	1	108.0960	0.000	1	108.6527	0.893	3	108.6217	0.599	4	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	108.1180	0.000	1	108.1180	0.000	1	108.6527	0.893	3	108.6217	0.599	4	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	108.0545	0.172	2	108.0545	0.030	2	108.0545	0.030	2	108.0545	0.030	2	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:2:	4:4:	3:4:1:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O){1|C<4>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O){1|H<1>,2|C<4>,4|C<3>}	100.2120	0.000	2	100.2120	0.000	2	100.2120	0.000	2	100.2120	0.000	2	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	105.2265	0.189	2	105.2265	0.036	2	105.8980	0.726	6	105.8980	0.726	6	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	107.2090	0.000	1	106.2338	0.748	4	105.8980	0.726	6	105.8980	0.726	6	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	105.9087	0.698	3	106.2338	0.748	4	105.8980	0.726	6	105.8980	0.726	6	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:3:2:	4:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.0620	0.000	1	108.0620	0.000	1	109.5365	4.348	2	109.5365	4.348	2	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:3:2:	4:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	111.0110	0.000	1	111.0110	0.000	1	109.5365	4.348	2	109.5365	4.348	2	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|N<2>,4|C<4>}	104.7470	0.000	1	105.8749	0.672	9	105.8749	0.672	9	106.9922	6.772	11	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	106.3680	0.000	1	105.8749	0.672	9	105.8749	0.672	9	106.9922	6.772	11	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	105.9656	0.797	7	105.8749	0.672	9	105.8749	0.672	9	106.9922	6.772	11	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	112.0200	0.740	2	112.0200	0.547	2	112.0200	0.547	2	106.9922	6.772	11	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:2:3:2:	4:4:	4:3:1:	C[6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<4>}	106.7490	4.217	2	106.7490	17.785	2	106.7490	17.785	2	106.7490	17.785	2	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>,3|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:2:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,1|O<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:Br-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br){1|C<3>,1|H<1>,4|C<4>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	112.0600	0.000	1	112.0600	0.000	1	107.4623	15.960	3	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.4890	0.000	1	105.4890	0.000	1	107.4623	15.960	3	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	104.8380	0.000	1	104.8380	0.000	1	107.4623	15.960	3	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.2330	0.000	1	110.2330	0.000	1	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	106.5350	0.000	1	106.5350	0.000	1	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.2920	0.000	1	106.2920	0.000	1	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	109.4800	0.000	1	109.4800	0.000	1	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	106.7180	0.000	1	106.3530	1.449	3	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	105.0090	0.000	1	106.3530	1.449	3	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.3320	0.000	1	106.3530	1.449	3	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.6010	1.199	2	111.8040	0.843	3	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	112.2100	0.000	1	111.8040	0.843	3	108.7011	7.051	10	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(Si[6]O[6]CC)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(Si[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	108.7530	8.017	15	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:1:	4:4:	4:4:2:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N-2:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>,2|O<2>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:2:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	101.4811	3.234	2	101.3744	5.264	3	101.3744	5.264	3	101.3744	5.264	3	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:2:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	101.1610	0.000	1	101.3744	5.264	3	101.3744	5.264	3	101.3744	5.264	3	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:Br-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	104.9570	1.548	4	105.7630	1.890	8	105.7630	1.890	8	105.5407	2.148	13	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:Br-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	106.5690	0.530	4	105.7630	1.890	8	105.7630	1.890	8	105.5407	2.148	13	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	103.4050	0.000	1	103.4050	0.000	1	103.4050	0.000	1	105.5407	2.148	13	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2{4|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	105.4430	1.888	3	105.4430	3.565	3	105.6300	2.517	4	105.5407	2.148	13	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2{1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	106.1910	0.000	1	106.1910	0.000	1	105.6300	2.517	4	105.5407	2.148	13	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:2:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC)	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,4|C<4>}	110.8400	1.192	2	110.8400	1.421	2	110.8400	1.421	2	110.8400	1.421	2	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:4:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.4400	0.000	1	106.4400	0.000	1	106.4400	0.000	1	106.4400	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:3:	4:4:	4:2:2:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:N[6]-2:O-2:	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)	C[6](C[6,6]C[5,6,6]O[6]C)(N[6]C[6,6])(OC)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|O<2>}	C[6](C[6,6]C[5,6,6]O[6]C)(N[6]C[6,6])(OC){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:2:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:2:	4:4:1:	C[3x6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:O[6]-2:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3)	O[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3){5|C<4>,6|H<1>}	O[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6]){1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	108.5860	2.839	5	108.5860	8.057	5	108.5860	8.057	5	108.5860	8.057	5	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.2720	0.000	1	106.1124	10.774	7	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.4500	0.000	1	106.1124	10.774	7	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|Se<2>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.4440	0.000	1	106.1124	10.774	7	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.3255	0.086	2	106.1124	10.774	7	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	103.8080	0.000	1	106.1124	10.774	7	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.1620	0.000	1	106.1124	10.774	7	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|N<2>,2|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	110.5910	0.000	1	110.5910	0.000	1	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	104.3410	0.000	1	104.3410	0.000	1	106.4132	10.878	9	106.4132	10.878	9	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH){2|C<4>,2|H<1>}	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:4:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:3:2:	4:4:	4:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|C<3>,7|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:4:2:	4:4:	3:4:1:	C[6]-4:C[6]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6]3)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6](C[6]C[5,6]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	107.3476	10.317	88	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:3:	C[6]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(O[6]C[6])2(H){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	107.0325	1.368	2	107.0325	1.872	2	107.0325	1.872	2	107.0325	1.872	2	106.8644	3.770	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:2:	4:4:3:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	O[6](C[6]C[6,6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	O[6](C[6]C[6,6]C[6]H)(O[6]C[6]){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	106.8644	3.770	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:3:	C[6]-3:O[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	106.8644	3.770	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:4:	3:4:3:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5,6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	106.1215	0.292	2	106.1215	0.085	2	106.1215	0.085	2	106.1215	0.085	2	106.8644	3.770	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	106.8644	3.770	8	107.5201	8.892	127
466	622	762	0:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:4:	4:4:	4:3:3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO)	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H){1|H<1>,6|C<4>}	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	106.8644	3.770	8	107.5201	8.892	127
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[3x6]	3:4:2:1:	4:3:	4:4:3:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O)	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O){3|C<3>,4|C<4>}	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	108.8488	0.532	18	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|H<1>,3|C<4>}	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	108.8488	0.532	18	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.3760	1.140	2	109.3760	1.299	2	109.3760	1.299	2	108.8488	0.532	18	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9930	0.440	2	108.9930	0.193	2	108.9401	0.334	14	108.8488	0.532	18	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,2|H<1>}	108.2120	0.000	1	108.9313	0.377	12	108.9401	0.334	14	108.8488	0.532	18	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.9967	0.598	11	108.9313	0.377	12	108.9401	0.334	14	108.8488	0.532	18	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	107.5830	0.000	1	107.5830	0.000	1	107.8996	0.110	5	107.9804	0.288	9	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	108.4410	0.000	1	107.9788	0.105	4	107.8996	0.110	5	107.9804	0.288	9	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	107.7090	0.000	1	107.9788	0.105	4	107.8996	0.110	5	107.9804	0.288	9	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	107.8825	0.105	2	107.9788	0.105	4	107.8996	0.110	5	107.9804	0.288	9	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	108.0815	0.772	4	108.0815	0.596	4	108.0815	0.596	4	107.9804	0.288	9	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.7855	0.265	2	106.6012	0.071	4	106.7307	0.102	6	106.7307	0.102	6	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.4170	0.091	2	106.6012	0.071	4	106.7307	0.102	6	106.7307	0.102	6	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.7710	0.000	1	106.9895	0.095	2	106.7307	0.102	6	106.7307	0.102	6	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.2080	0.000	1	106.9895	0.095	2	106.7307	0.102	6	106.7307	0.102	6	108.2090	1.036	36	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6]	C[3x6]	3:4:2:1:	4:3:	4:4:3:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[4,6,6]-4:C[6]-3:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H){2|C<3>,3|C<4>,4|H<1>}	111.5150	0.000	1	111.5150	0.000	1	111.5150	0.000	1	111.5150	0.000	1	108.1270	4.183	6	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6]	C[3x6]	4:3:2:4:	4:3:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O){1|H<1>,1|N<2>,5|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	109.6380	0.000	1	109.6380	0.000	1	107.4494	1.785	5	107.4494	1.785	5	108.1270	4.183	6	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6]	C[3x6]	4:3:2:4:	4:3:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	106.8680	0.000	1	106.9022	0.384	4	107.4494	1.785	5	107.4494	1.785	5	108.1270	4.183	6	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6]	C[3x6]	4:3:2:4:	4:3:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	106.9137	0.758	3	106.9022	0.384	4	107.4494	1.785	5	107.4494	1.785	5	108.1270	4.183	6	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6]	3:3:2:2:	3:4:	4:3:4:	C[6,6]-3:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-4:	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	112.7180	0.335	2	112.7180	0.112	2	112.7180	0.112	2	112.7180	0.112	2	112.7180	0.112	2	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[4x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6]C[6]CC)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6]C[6]CC){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	107.5335	0.079	2	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[4x6]	O[6,6]	C[6,6]	4:3:2:4:	4:3:	4:3:3:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:C[6,6]-3:	C[4x6]-4:C[6,6]-3:C-3:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH){2|C<3>,3|C<4>,3|H<1>}	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.5335	0.079	2	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:2:1:	3:4:	4:4:3:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:2:4:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	113.9297	1.009	4	113.9297	1.019	4	113.9297	1.019	4	113.9297	1.019	4	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:3:1:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	110.4470	0.000	2	110.4470	0.000	2	110.4470	0.000	2	110.4470	0.000	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	3:4:2:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a])	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	113.3580	0.239	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	113.7040	0.000	1	113.7040	0.000	1	113.7040	0.000	1	113.3580	0.239	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	118.8370	0.000	1	118.8370	0.000	1	113.1916	12.343	5	113.1916	12.343	5	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	111.3350	0.000	1	111.3350	0.000	1	113.1916	12.343	5	113.1916	12.343	5	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	109.8620	0.000	1	109.8620	0.000	1	113.1916	12.343	5	113.1916	12.343	5	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	111.7660	0.000	1	111.7660	0.000	1	113.1916	12.343	5	113.1916	12.343	5	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|H<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|S<4>,2|O<2>,3|C<3>}	114.1580	0.000	1	114.1580	0.000	1	113.1916	12.343	5	113.1916	12.343	5	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:1:	3:4:	4:3:4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:2:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:3:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:4:	3:4:	3:4:4:	C[6,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,8|H<1>}	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:4:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.8152	0.653	4	110.1677	0.537	9	110.1677	0.537	9	110.1677	0.537	9	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:4:	3:4:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.4496	0.729	5	110.1677	0.537	9	110.1677	0.537	9	110.1677	0.537	9	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:4:	3:4:	4:3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	111.2280	0.000	1	111.2280	0.000	1	112.0060	1.211	2	112.0060	1.211	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:2:4:4:	3:4:	4:3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.7840	0.000	1	112.7840	0.000	1	112.0060	1.211	2	112.0060	1.211	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:2:1:	3:4:	4:4:2:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a]){1|C<4>,4|C<3>}	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:2:2:	4:3:	3:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	111.3645	0.940	2	111.3645	0.883	2	111.3645	0.883	2	111.3645	0.883	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:2:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,4|C<3>}	112.2590	0.074	2	112.2590	0.005	2	112.2590	0.005	2	112.2590	0.005	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:2:4:	3:4:	4:3:3:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|O<1>,6|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:2:4:	4:3:	3:4:3:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	106.9695	0.771	2	106.9695	0.595	2	106.9695	0.595	2	106.9695	0.595	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:2:4:	4:3:	4:2:3:	C[6,6]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C)	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:3:3:2:	4:3:	4:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:3:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:3:	4:4:2:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:N[6]-2:	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6])	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:2:	3:4:	4:3:2:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:4:	4:3:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:4:	4:3:	4:4:2:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	110.0443	0.565	7	110.0443	0.320	7	110.0443	0.320	7	110.0443	0.320	7	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:4:	4:3:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|O<2>,4|C<4>}	107.3510	0.000	1	107.3510	0.000	1	107.3510	0.000	1	108.9905	5.376	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	3:4:2:4:	4:3:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	108.9905	5.376	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O){1|O<2>,3|C<3>,3|H<1>}	110.4290	0.000	1	110.4290	0.000	1	111.3615	1.739	2	111.3615	1.739	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.2940	0.000	1	112.2940	0.000	1	111.3615	1.739	2	111.3615	1.739	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	4:3:2:2:	4:3:	4:4:3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	4:3:2:4:	3:4:	4:3:3:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.0910	0.577	2	111.0910	0.333	2	111.0910	0.333	2	111.0910	0.333	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6]	4:3:2:4:	4:3:	4:4:1:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.3405	0.077	2	110.3405	0.006	2	110.3405	0.006	2	110.3405	0.006	2	111.0876	4.205	60	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:2:4:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	112.8400	0.000	1	112.8400	0.000	1	112.9330	0.017	2	112.9330	0.017	2	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:2:4:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	113.0260	0.000	1	113.0260	0.000	1	112.9330	0.017	2	112.9330	0.017	2	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	2:4:4:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]C)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]C)(H){2|C<3>,2|C<4>,4|H<1>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:2:3:3:	3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|H<1>,5|C<3>}	109.5373	0.570	4	109.5373	0.325	4	109.5373	0.325	4	109.5373	0.325	4	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6])	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6]){2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	110.7065	0.025	2	110.7065	0.001	2	111.0503	0.355	3	111.0503	0.355	3	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6])	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6]){1|H<1>,8|C<3>}	C[6](C[6,6]C[6,6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	111.7380	0.000	1	111.7380	0.000	1	111.0503	0.355	3	111.0503	0.355	3	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:3:3:2:	4:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6])	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O){2|H<1>,4|C<3>}	114.0115	0.026	2	114.0115	0.001	2	114.0115	0.001	2	114.0115	0.001	2	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	3:4:2:3:	3:4:	4:3:1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:2:4:3:	3:4:	4:3:1:	C[6]-4:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)(H)	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>,4|H<1>}	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:3:2:	4:2:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6])	O[6](C[6,6]C[6,6]C[6]2)(N[6]C[6])	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6]){1|C<2>,1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H){1|N<2>,3|C<4>,4|H<1>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6]	4:4:3:2:	4:3:	4:3:4:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6])	O[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.0604	2.789	16	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:1:1:	3:4:	4:3:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	111.8365	2.208	2	111.8365	4.877	2	111.8365	4.877	2	112.0513	2.577	3	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:1:1:	3:4:	4:3:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	112.0513	2.577	3	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:1:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,3|C<3>}	112.1240	0.000	1	112.1240	0.000	1	111.2030	0.515	5	111.2030	0.515	5	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:1:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.9727	0.578	4	110.9727	0.334	4	111.2030	0.515	5	111.2030	0.515	5	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:1:1:	4:3:	3:4:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|C<4>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	115.4560	0.000	1	115.4560	0.000	1	115.4560	0.000	1	114.0050	4.211	2	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:1:1:	4:3:	3:4:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	114.0050	4.211	2	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:2:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]HO)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	110.7005	1.857	2	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:2:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|C<3>}	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	110.7005	1.857	2	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:3:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:4:1:	3:4:	3:4:3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH){1|N<3>,1|O<2>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:4:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.1180	1.013	3	110.1180	1.026	3	110.1180	1.026	3	110.1180	1.026	3	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:4:4:	3:4:	3:4:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.0100	0.000	1	109.0100	0.000	1	109.5670	0.620	2	109.5670	0.620	2	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:4:4:	3:4:	3:4:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	110.1240	0.000	1	110.1240	0.000	1	109.5670	0.620	2	109.5670	0.620	2	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:4:4:	3:4:	4:4:3:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6]	3:2:4:4:	4:3:	4:3:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	111.0026	2.576	21	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	2:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	O[6]-2:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH)	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH){2|C<3>}	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	112.0857	0.838	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	2:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|S<2>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC){2|C<3>}	111.9140	0.000	1	111.9140	0.000	1	112.4945	0.674	2	112.0857	0.838	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	2:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|S<2>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C){2|C<3>}	113.0750	0.000	1	113.0750	0.000	1	112.4945	0.674	2	112.0857	0.838	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O)	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O){2|C<3>}	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O){2|C<3>}	115.4310	0.000	1	115.4310	0.000	1	115.4310	0.000	1	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H){4|C<3>}	109.8705	0.008	2	109.8705	0.000	2	110.0750	0.332	4	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(H){2|C<3>}	110.2795	0.910	2	110.2795	0.828	2	110.0750	0.332	4	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:I-1:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(I)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(I){4|C<3>}	114.1770	0.000	1	114.1770	0.000	1	113.1620	2.060	2	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:I-1:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{1|Se<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I){2|C<3>}	112.1470	0.000	1	112.1470	0.000	1	113.1620	2.060	2	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|N<3>,3|C<3>}	112.8515	0.053	2	112.8515	0.003	2	112.8515	0.003	2	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	115.6047	2.616	9	115.6047	6.843	9	114.4087	10.029	13	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	112.4510	0.000	1	112.4510	0.000	1	114.4087	10.029	13	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	110.1295	3.495	2	110.1295	12.217	2	114.4087	10.029	13	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O){2|C<3>}	114.1610	0.000	1	114.1610	0.000	1	114.4087	10.029	13	113.6302	9.532	23	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	110.3200	0.000	1	110.3200	0.000	1	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO){4|C<3>}	114.2420	2.654	2	114.2420	7.046	2	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|Cl<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	116.6055	3.327	2	116.6055	11.069	2	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO){2|C<3>}	113.7790	0.000	1	113.7790	0.000	1	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO){2|C<3>}	114.9620	0.000	1	114.9620	0.000	1	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH){2|C<3>}	113.6845	0.718	2	113.6845	0.515	2	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	112.3442	0.813	10	112.8579	1.512	15	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	113.8852	1.352	5	112.8579	1.512	15	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN){2|C<3>}	111.8617	0.483	3	111.8617	0.234	3	113.2066	3.268	27	113.2066	3.268	27	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	3:4:4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:P-4:	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	110.6655	1.307	2	110.6655	1.709	2	110.6655	1.709	2	110.6655	1.709	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	4:4:2:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-2:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:1:1:	3:4:	4:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:2:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)(H){4|C<3>}	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:2:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN){2|C<3>}	112.5600	0.000	1	112.5600	0.000	1	112.5332	0.176	4	112.5332	0.176	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:2:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	112.5243	0.514	3	112.5243	0.264	3	112.5332	0.176	4	112.5332	0.176	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:3:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H){2|C<3>}	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:3:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN){2|C<3>}	111.7800	0.000	1	111.7800	0.000	1	111.3540	0.363	2	111.3540	0.363	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:3:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO){2|C<3>}	110.9280	0.000	1	110.9280	0.000	1	111.3540	0.363	2	111.3540	0.363	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:3:2:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CO)(H){4|C<3>}	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:3:3:	3:4:	3:4:1:	O[6]-2:C[6]-3:N-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CN)(H){4|C<3>}	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	112.0730	0.061	2	112.0730	0.004	2	111.3463	1.586	3	111.3463	1.586	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:1:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	109.8930	0.000	1	109.8930	0.000	1	111.3463	1.586	3	111.3463	1.586	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	112.0565	0.090	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|S<2>,4|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	112.2685	0.275	2	112.2685	0.076	2	112.2685	0.076	2	112.0565	0.090	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:1:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO){2|C<3>}	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	112.0565	0.090	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:1:	3:4:	3:4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:2:	3:4:	2:4:1:	O[6]-2:C[6]-3:C-4:N-2:	C[6,6a]-3:C[6]-4:	O[6]-2:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O){2|C<3>}	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:2:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O){2|C<3>}	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:2:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	111.4060	0.000	1	111.4060	0.000	1	110.5782	0.402	5	110.5782	0.402	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:2:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	110.5700	0.396	2	110.2817	0.328	3	110.5782	0.402	5	110.5782	0.402	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:2:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	109.7050	0.000	1	110.2817	0.328	3	110.5782	0.402	5	110.5782	0.402	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:2:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O){2|C<3>}	110.6400	0.000	1	110.6400	0.000	1	110.5782	0.402	5	110.5782	0.402	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:3:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-3:	C[5a,6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H){1|C<3>,1|S<2>}	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	109.8890	7.613	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:3:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	109.8890	7.613	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:3:	3:4:	3:4:3:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO){4|C<3>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:3:	3:4:	4:4:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	109.9900	0.663	2	109.9900	0.440	2	109.9900	0.440	2	109.9900	0.440	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|C<3>}	109.9370	0.000	1	109.9370	0.000	1	110.2323	1.434	3	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|C<3>}	111.5500	0.000	1	110.3800	2.738	2	110.2323	1.434	3	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){1|C<3>,1|C<4>}	109.2100	0.000	1	110.3800	2.738	2	110.2323	1.434	3	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	107.8270	0.000	1	109.6410	6.581	2	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	111.4550	0.000	1	109.6410	6.581	2	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	110.0960	0.254	3	110.7440	1.321	6	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	111.3920	1.406	3	110.7440	1.321	6	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	110.0633	0.883	16	110.0691	1.100	64	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	107.1155	1.109	2	110.0691	1.100	64	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	109.6050	0.398	7	110.0691	1.100	64	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	110.3063	0.949	39	110.0691	1.100	64	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H){2|C<3>}	110.5740	0.000	1	110.5740	0.000	1	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	109.7333	0.517	3	109.7333	0.267	3	110.1045	1.155	76	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	111.2540	0.395	2	111.2540	0.156	2	111.2540	0.156	2	110.1376	1.153	81	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:2:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:S-2:	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6a]S)(C[6]O[6]CC)(SCo)	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2{1|C<3>,1|N<2>,1|S<2>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|N<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]S)(C[6]O[6]CC)(SCo){1|C<3>,1|N<2>}	110.6060	1.215	2	110.6060	1.476	2	110.6060	1.476	2	110.6060	1.476	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	2:4:3:3:	3:4:	4:2:1:	O[6]-2:C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N)	C[6](C[6]C[6]O[6]N)(N[6]C[6,6a])(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]O[6]N)(N[6]C[6,6a])(H){1|H<1>,2|C<3>,2|C<4>}	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:2:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH)	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2{4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH){2|H<1>,4|C<3>}	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[5a]-3:C[6]-4:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<3>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.2500	0.205	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	112.2500	0.205	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O)	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O){4|C<3>}	120.8150	0.000	1	120.8150	0.000	1	120.8150	0.000	1	114.5300	20.628	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	112.1450	0.000	1	112.1450	0.000	1	113.4285	3.295	2	114.5300	20.628	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[3x6]-3:C[6]-4:H-1:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	114.7120	0.000	1	114.7120	0.000	1	113.4285	3.295	2	114.5300	20.628	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2{1|S<4>,2|C<3>}	O[6](C[6]C[6,6]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H){2|O<1>,3|C<3>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	114.5300	20.628	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C-3:	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	113.2480	7.948	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	116.6040	0.000	1	116.6040	0.000	1	116.6040	0.000	1	113.2480	7.948	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH){1|H<1>,3|C<3>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	113.2480	7.948	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-3:	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.2480	7.948	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[5a]N[6])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(N[6]N[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<2>}	O[6](C[6]C[5a]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]O[6]HH)(N[6]N[6]H)(O){1|C<3>}	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	4:3:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	O[6](C[6]C[5]C[6])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	112.7453	0.570	3	112.7453	0.325	3	112.7453	0.325	3	112.7453	0.325	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[3x6]-4:C[6]-4:H-1:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	4:4:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,3|H<1>}	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:2:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-2:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6])	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]N[6])(H)2{1|C<3>,1|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>}	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|N<3>,1|O<1>}	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O){3|C<3>}	114.1315	0.179	2	114.1315	0.032	2	114.1315	0.032	2	114.1315	0.032	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH){1|H<1>,3|C<3>}	115.2930	3.707	2	115.2930	13.739	2	115.2930	13.739	2	115.2930	13.739	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]O[6]HH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	116.6590	0.000	1	113.4560	3.223	5	113.4560	3.223	5	113.4560	3.223	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]O[6]HH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(O){1|C<3>,2|H<1>}	112.6552	0.152	4	113.4560	3.223	5	113.4560	3.223	5	113.4560	3.223	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]O[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]O[6]HH)(C[6]N[6]H)(H){1|C<3>,1|S<4>}	110.9245	0.069	2	110.9245	0.005	2	110.9245	0.005	2	112.4153	6.670	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	112.4153	6.670	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:3:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH){1|C<3>,1|H<1>,1|N<3>}	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:2:1:	4:3:	4:3:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HO)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:2:1:	4:3:	4:4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	109.6840	0.000	1	109.6840	0.000	1	110.7005	2.067	2	110.7005	2.067	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:2:1:	4:3:	4:4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	111.7170	0.000	1	111.7170	0.000	1	110.7005	2.067	2	110.7005	2.067	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:2:3:	C[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO)	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.6295	1.216	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:2:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH){4|C<3>}	112.2540	0.000	1	112.2540	0.000	1	110.8277	1.589	3	110.6295	1.216	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:2:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|N<2>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	110.1145	0.356	2	110.1145	0.127	2	110.8277	1.589	3	110.6295	1.216	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H){4|C<3>}	111.7750	0.000	1	111.7750	0.000	1	109.7715	8.028	2	109.7715	8.028	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H){4|C<3>}	107.7680	0.000	1	107.7680	0.000	1	109.7715	8.028	2	109.7715	8.028	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	112.8360	0.000	1	112.8360	0.000	1	111.7912	0.934	11	111.5987	1.293	12	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	110.4290	0.000	1	110.4290	0.000	1	111.7912	0.934	11	111.5987	1.293	12	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	111.7596	0.796	7	111.7596	0.634	7	111.7912	0.934	11	111.5987	1.293	12	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN){4|C<3>}	112.0605	1.561	2	112.0605	2.435	2	111.7912	0.934	11	111.5987	1.293	12	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Br<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	111.5987	1.293	12	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	111.0640	0.536	2	111.0640	0.287	2	111.5890	0.971	3	111.5890	0.971	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	112.6390	0.000	1	112.6390	0.000	1	111.5890	0.971	3	111.5890	0.971	3	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	111.3495	1.792	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H){4|C<3>}	112.1280	0.064	2	112.0137	0.041	3	112.0137	0.041	3	111.3495	1.792	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(H){4|C<3>}	111.7850	0.000	1	112.0137	0.041	3	112.0137	0.041	3	111.3495	1.792	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,6|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO){4|C<3>}	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	111.4555	0.276	2	110.0703	2.708	4	110.0703	2.708	4	110.0703	2.708	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	108.6850	0.611	2	110.0703	2.708	4	110.0703	2.708	4	110.0703	2.708	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:4:	3:4:	3:4:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){6|C<3>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:4:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H){1|C<4>,3|C<3>}	109.7540	0.000	1	109.7540	0.000	1	109.7540	0.000	1	110.4055	0.849	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:3:4:	3:4:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	110.4055	0.849	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	3:4:	3:3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH){1|S<4>,2|H<1>,3|C<3>}	113.8630	0.000	1	113.8630	0.000	1	113.8630	0.000	1	113.8630	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	3:4:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]O[6]CH)(O[6]C[5,6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[5,6])(O){1|C<3>,2|C<4>}	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	3:4:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O){3|C<3>,3|C<4>}	113.4760	0.448	2	113.4760	0.201	2	113.4760	0.201	2	113.4760	0.201	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	O[6](C[6]C[6]BrC)(C[6]C[6]O)	C[6](C[6]O[6]BrC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	O[6](C[6]C[6]BrC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]BrC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>}	114.2865	0.288	2	114.2865	0.083	2	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){2|C<3>}	113.8940	0.000	1	111.6869	4.512	7	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>}	111.1600	0.000	1	111.6869	4.512	7	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|Br<1>,1|C<3>,1|C<4>}	110.2490	0.000	1	111.6869	4.512	7	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>}	108.8630	0.000	1	111.6869	4.512	7	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	112.5473	2.198	3	111.6869	4.512	7	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	108.8015	0.776	2	108.8015	0.602	2	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	113.8753	2.091	4	113.8166	3.298	5	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|H<1>}	113.5820	0.000	1	113.8166	3.298	5	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	116.1660	0.000	1	116.1660	0.000	1	112.5431	6.337	17	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:S-1:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	109.3710	1.745	2	109.3710	3.046	2	108.8912	1.722	4	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:S-1:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]CH)(O[6]C[6])(S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	108.4115	1.095	2	108.4115	1.200	2	108.8912	1.722	4	111.8849	7.161	22	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	110.2740	0.000	1	110.2740	0.000	1	111.2855	0.420	8	111.3707	0.359	10	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,1|O<4>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<4>}	110.3590	0.000	1	111.4300	0.295	7	111.2855	0.420	8	111.3707	0.359	10	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	111.6085	0.294	6	111.4300	0.295	7	111.2855	0.420	8	111.3707	0.359	10	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-2:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(O[6]C[6])(OB)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(OB){1|C<3>,1|C<4>,1|H<1>}	111.7115	0.050	2	111.7115	0.003	2	111.7115	0.003	2	111.3707	0.359	10	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]N)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	111.8410	0.000	1	111.8410	0.000	1	111.3386	0.206	5	111.3386	0.206	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.3386	0.206	5	111.3386	0.206	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	111.2757	0.481	3	111.2757	0.232	3	111.3386	0.206	5	111.3386	0.206	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|O<2>}	114.0330	0.000	1	114.0330	0.000	1	114.0330	0.000	1	114.0330	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:2:	3:4:	4:3:3:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|H<1>,4|C<3>}	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:3:	3:4:	4:4:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-3:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	110.4290	1.649	5	110.4290	2.718	5	110.4290	2.718	5	110.4290	2.718	5	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O){1|N<3>,3|C<3>}	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	113.0120	0.256	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH)	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O)	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH){1|O<1>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O){1|C<3>,2|C<4>,3|H<1>}	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	113.0120	0.256	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	3:4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[5a,6]O)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]CC){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	111.3580	2.761	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	3:4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H){1|H<1>,3|C<3>}	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	111.3580	2.761	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	4:2:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	O[6](C[6]C[3,6]O)(C[6]C[6]CC)	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC){1|C<3>,2|C<4>}	108.2640	0.379	2	108.2640	0.144	2	108.2668	0.050	4	108.2668	0.050	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	4:2:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	108.2695	0.073	2	108.2695	0.005	2	108.2668	0.050	4	108.2668	0.050	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	4:3:	3:4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6])	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	4:3:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6]CC)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|C<3>,2|H<1>}	108.8210	0.082	3	108.8210	0.007	3	109.2585	0.770	4	109.2585	0.770	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:2:4:4:	4:3:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CC)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	110.5710	0.000	1	110.5710	0.000	1	109.2585	0.770	4	109.2585	0.770	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	3:4:3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	4:2:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,3|C<3>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){4|C<3>}	112.0245	0.752	2	112.0245	0.565	2	112.0245	0.565	2	112.0245	0.565	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	4:4:3:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]C)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	112.9817	0.494	3	112.8967	0.192	4	112.8967	0.192	4	112.8967	0.192	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|O<2>,6|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	112.6420	0.000	1	112.8967	0.192	4	112.8967	0.192	4	112.8967	0.192	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6])	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6]){1|S<2>,2|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H){1|S<2>,5|C<3>}	109.4330	0.392	2	109.4330	0.153	2	109.4330	0.153	2	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H){1|C<4>,5|C<3>}	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:Br-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|Br<1>,1|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br){6|C<3>}	106.5700	1.219	2	106.5700	1.486	2	106.5700	1.486	2	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H){6|C<3>}	110.6055	0.279	2	110.6055	0.078	2	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|H<1>,1|O<2>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	109.9090	0.000	1	109.9090	0.000	1	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	108.2545	1.754	2	109.0966	1.147	17	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	108.1135	0.180	2	109.0966	1.147	17	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	109.3775	0.952	13	109.0966	1.147	17	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	109.4290	0.701	2	109.6173	0.352	3	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	109.9940	0.000	1	109.6173	0.352	3	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H){6|C<3>}	109.3500	0.000	1	109.3500	0.000	1	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(H){6|C<3>}	109.8147	1.120	3	109.8147	1.253	3	109.3855	1.040	27	109.1594	1.477	32	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:2:3:	3:4:	4:3:4:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH){6|C<3>}	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:3:3:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:1:	4:3:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	113.9920	2.244	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:1:	4:3:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|S<1>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	114.8930	0.000	1	114.8930	0.000	1	114.7280	0.116	3	113.9920	2.244	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:1:	4:3:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|N<3>,1|S<1>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	114.6455	0.436	2	114.6455	0.190	2	114.7280	0.116	3	113.9920	2.244	4	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:1:	4:3:	4:3:3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,3|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	3:4:2:4:	4:3:	4:4:3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH){1|C<3>,2|H<1>}	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H)	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H){6|C<3>}	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	4:2:3:1:	3:4:	4:3:3:	C[5]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO){1|Fe<10>,2|C<3>,2|C<4>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	4:3:2:1:	4:3:	3:4:4:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O){3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3){2|H<1>,3|C<3>,4|C<4>}	110.3200	0.163	2	110.3200	0.026	2	110.3200	0.026	2	110.3200	0.026	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	4:3:2:4:	4:3:	4:2:1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	O[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]O[6]C)(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5]O[6]C)(O[6]C[6])(O){1|C<3>,2|H<1>,3|C<4>}	113.3445	0.346	2	113.3445	0.120	2	113.3445	0.120	2	113.3445	0.120	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP2	C[6]	O[6]	C[6]	4:3:2:4:	4:3:	4:3:1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O)	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.0660	0.190	2	107.0660	0.036	2	107.0660	0.036	2	107.0660	0.036	2	111.2864	4.936	357	110.9695	5.104	501
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[3x6]	3:4:2:1:	4:4:	4:3:3:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	109.0570	1.968	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[3x6]	3:4:2:1:	4:4:	4:3:4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	109.0570	1.968	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[3x6]	4:3:2:1:	4:4:	4:3:3:	C[3x6]-4:C[3x6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[3x6]2H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	109.0570	1.968	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:2:2:1:	4:4:	4:4:3:	C[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[5,6,6]-4:C[3x6]-4:C-3:	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH)	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H){1|H<1>,2|O<2>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH){3|C<4>,3|H<1>}	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	109.8720	0.063	2	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:2:2:1:	4:4:	4:4:3:	C[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[3x6]-4:C-3:	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H)	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH)	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H){1|H<1>,2|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH){3|C<4>,3|H<1>}	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	109.8720	0.063	2	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.7040	0.000	1	112.7040	0.000	1	111.4187	1.295	3	111.4187	1.295	3	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	110.5400	0.000	1	110.5400	0.000	1	111.4187	1.295	3	111.4187	1.295	3	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.0120	0.000	1	111.0120	0.000	1	111.4187	1.295	3	111.4187	1.295	3	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O){1|C<3>,1|N<3>,4|H<1>}	102.5410	0.000	1	102.5410	0.000	1	102.5410	0.000	1	104.1125	4.939	2	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|N<3>,2|H<1>}	105.6840	0.000	1	105.6840	0.000	1	105.6840	0.000	1	104.1125	4.939	2	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:1:	4:3:	4:4:2:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-4:N-2:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	104.5340	0.000	1	104.5340	0.000	1	104.5340	0.000	1	104.5340	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:4:	4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,1|O<1>,2|C<4>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:3:2:4:	4:3:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:N[6,6]-3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	100.7730	0.000	1	100.7730	0.000	1	100.7730	0.000	1	100.7730	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:4:2:1:	4:2:	3:4:1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6])	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H)	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	105.9210	0.000	1	105.9210	0.000	1	105.9210	0.000	1	105.9210	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:4:2:3:	4:4:	4:3:3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2)	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a]){1|C<4>,2|H<1>,9|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	3:4:2:4:	4:3:	4:4:1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:N[6,6]-3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	102.5890	0.000	1	102.5890	0.000	1	102.5890	0.000	1	102.5890	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H)	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:2:3:3:	4:4:	4:3:3:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6])	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O){1|O<1>,2|H<1>,5|C<4>}	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:2:3:4:	4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C-4:	C[5,3x6]-4:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3)	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:2:3:4:	4:4:	4:3:3:	C[6]-4:O[6,6]-2:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	O[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[4x6]O[6]H)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	O[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[4x6]O[6]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O){3|C<4>,4|H<1>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	3:4:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|C<4>,4|B<6>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	108.0410	0.000	1	108.0410	0.000	1	109.7900	0.836	6	109.7900	0.836	6	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	3:4:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,3|H<1>}	109.7670	0.000	1	109.7670	0.000	1	109.7900	0.836	6	109.7900	0.836	6	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	3:4:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.2330	0.334	4	110.2330	0.111	4	109.7900	0.836	6	109.7900	0.836	6	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	3:4:	4:4:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	105.7800	2.255	8	105.7800	5.084	8	105.7800	5.084	8	105.7800	5.084	8	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:2:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H){2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H){2|C<4>,3|H<1>,3|O<2>}	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	107.4733	1.394	13	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:2:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	106.6765	0.147	6	106.6765	0.022	6	107.3508	1.308	12	107.4733	1.394	13	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:2:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	106.5740	0.141	2	106.5740	0.020	2	107.3508	1.308	12	107.4733	1.394	13	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:2:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,3|H<1>}	108.0075	0.385	2	108.0075	0.149	2	107.3508	1.308	12	107.4733	1.394	13	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:2:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.4940	0.358	2	109.4940	0.128	2	107.3508	1.308	12	107.4733	1.394	13	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:3:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	109.6800	0.502	5	109.6800	0.252	5	109.6800	0.252	5	109.6800	0.252	5	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:4:	4:2:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(O)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(O){1|O<2>,2|C<4>,2|H<1>}	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){2|H<1>,3|C<4>}	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){2|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO){5|C<4>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:2:	4:2:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi)	O[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi){2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	108.8445	0.127	2	108.8445	0.016	2	108.8445	0.016	2	108.8445	0.016	2	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:2:	4:4:	4:4:1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|O<1>,5|C<4>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O){8|C<4>}	105.1410	0.000	1	105.1410	0.000	1	105.1410	0.000	1	105.1410	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:3:	4:4:	4:3:1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[5,6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,3|C<3>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	3:4:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C){1|C<3>,2|C<4>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,2|H<1>}	108.6567	0.275	3	108.6567	0.075	3	108.6567	0.075	3	108.6567	0.075	3	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6]	4:3:2:4:	4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3)	O[6,6](C[3x6]C[6,6]2C)(O[6,6]C[5,3x6])	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3){2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2C)(O[6,6]C[5,3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	107.8662	6.177	60	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6]	4:2:3:3:	4:4:	4:4:1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:C[6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6])	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6]	3:4:4:2:	4:4:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[3x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[3x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]H){1|O<2>,2|C<3>,3|H<1>,7|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	108.8435	0.686	2	111.5870	5.284	6	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6]	3:4:4:2:	4:4:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]2O)(CHH)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH){2|H<1>,3|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]2O)(CHH){2|C<3>,4|H<1>,5|C<4>}	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	108.8435	0.686	2	111.5870	5.284	6	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6]	4:3:2:2:	4:4:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6]){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	113.8115	0.497	2	113.8115	0.247	2	113.8115	0.247	2	113.8115	0.247	2	111.5870	5.284	6	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6]	4:3:4:2:	4:2:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-4:O[6]-2:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6])	O[6](C[3x6]C[6,6]2C[6])(O[6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6]){3|C<4>,7|H<1>}	O[6](C[3x6]C[6,6]2C[6])(O[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<2>,2|O<2>,3|H<1>,5|C<4>}	112.1060	0.000	2	112.1060	0.000	2	112.1060	0.000	2	112.1060	0.000	2	111.5870	5.284	6	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[3x6]	O[6]	C[6]	4:4:3:2:	4:4:	4:3:4:	C[3x6]-4:C[6,6]-4:C[6]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-3:C-4:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH){2|H<1>,3|C<3>,5|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,5|C<4>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[4x6]	O[6,6]	C[3x6]	3:4:2:4:	4:2:	4:3:4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH){1|C<4>,2|O<2>,4|H<1>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	109.0160	3.257	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[4x6]	O[6,6]	C[3x6]	4:3:2:3:	4:4:	4:3:3:	C[6,6]-4:C[3x6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:C[5,6,6]-4:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]C)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O)	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]C){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.0320	0.566	2	110.0320	0.320	2	110.0320	0.320	2	110.0320	0.320	2	109.0160	3.257	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6]	3:3:3:2:	4:2:	4:3:3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6])	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6]){7|C<3>}	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	104.9163	2.006	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6]	4:3:2:4:	4:2:	4:3:1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[4x6])	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]H)(H)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[4x6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,5|C<4>}	105.6450	0.000	1	105.6450	0.000	1	105.6450	0.000	1	105.6450	0.000	1	104.9163	2.006	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6]	4:4:3:2:	4:2:	4:3:1:	C[3x6]-4:C[5,6]-4:C[6,6]-3:O[6,6]-2:	C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])	O[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(O[6,6]C[4x6])	C[6,6](C[4x6]C[3x6]C[5,6]O[6,6])(C[6,6]C[4x6]H)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6]){5|H<1>,7|C<4>}	O[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(O[6,6]C[4x6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[5,6]O[6,6])(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,5|C<4>}	103.2840	0.000	1	103.2840	0.000	1	103.2840	0.000	1	103.2840	0.000	1	104.9163	2.006	3	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[4x6]	O[6]	C[3x6]	4:3:3:2:	4:4:	4:3:3:	C[6,6]-4:C[3x6]-3:C[6,6]-3:O[6]-2:	C[4x6]-4:C[6]-4:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6])	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O)	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O){1|O<1>,3|C<4>,3|H<1>}	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6]	3:4:2:1:	4:4:	4:3:3:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	2:2:3:3:	4:4:	4:3:1:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C)	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,3|C<3>}	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	2:3:4:1:	4:4:	4:3:3:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	2:3:4:1:	4:4:	4:4:2:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN)	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	O[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN){4|C<4>,5|H<1>}	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	3:2:3:1:	4:4:	4:3:1:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H)	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H)	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	3:3:2:1:	4:4:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	3:3:2:4:	4:4:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	108.1490	0.000	1	108.1490	0.000	1	108.3618	0.466	6	108.3618	0.466	6	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	3:3:2:4:	4:4:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	107.9707	0.651	3	107.9707	0.424	3	108.3618	0.466	6	108.3618	0.466	6	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	3:3:2:4:	4:4:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H){1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	109.0550	0.122	2	109.0550	0.015	2	108.3618	0.466	6	108.3618	0.466	6	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:1:	4:4:	4:2:3:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-2:N-3:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	105.6860	0.025	2	105.6860	0.001	2	105.5588	0.014	5	105.5588	0.014	5	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:1:	4:4:	4:2:3:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-2:N-3:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|H<1>,1|O<2>,2|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	105.4740	0.041	3	105.4740	0.002	3	105.5588	0.014	5	105.5588	0.014	5	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H)	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	111.6480	0.076	2	111.6480	0.006	2	111.6480	0.006	2	111.9847	0.343	3	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H)	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	111.9847	0.343	3	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:3:	4:4:	4:3:1:	C[6]-4:O[6,6]-2:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2){5|C<3>,5|H<1>}	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6]C[6a]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:4:	4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3)	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4083	0.087	3	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:3:4:	4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3)	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.3920	0.416	2	110.3920	0.173	2	110.3920	0.173	2	110.4083	0.087	3	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6]	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6,6]-2:C[3]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[3]C[6]2)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[3]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]O[6,6]C[3]C[6])(C[6]C[6a]C[6])(H){3|C<3>,3|C<4>,5|H<1>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	108.9511	4.899	24	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:2:2:1:	4:4:	4:4:3:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.3740	0.000	1	115.3740	0.000	1	115.3740	0.000	1	115.3740	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:2:2:4:	4:4:	4:3:3:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	O[6](C[6,6]C[6,6]O[6]C)2	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]O[6]C)2{5|C<3>}	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	115.3092	2.021	4	115.3092	4.084	4	115.3092	4.084	4	115.3092	4.084	4	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:3:2:1:	4:4:	4:2:3:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:N[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	112.0080	2.978	2	112.0080	8.870	2	112.0080	8.870	2	112.0080	8.870	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:3:2:2:	4:4:	3:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	110.1880	0.120	2	110.1880	0.014	2	110.1880	0.014	2	110.1880	0.014	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:3:	3:4:4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	110.1410	0.216	2	110.1410	0.047	2	110.1410	0.047	2	110.1410	0.047	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:3:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	111.0020	0.000	1	111.0020	0.000	1	110.7505	0.127	2	110.7505	0.127	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:3:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	110.4990	0.000	1	110.4990	0.000	1	110.7505	0.127	2	110.7505	0.127	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	3:4:2:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:O[6]-2:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H){3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6]){1|C<3>,4|H<1>,6|C<4>}	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	3:4:4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	112.7840	0.000	1	112.7840	0.000	1	112.3210	0.429	2	112.3210	0.429	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	3:4:4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	111.8580	0.000	1	111.8580	0.000	1	112.3210	0.429	2	112.3210	0.429	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	110.7640	0.323	6	110.7640	0.104	6	111.2472	0.463	13	111.2472	0.463	13	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	112.1295	0.272	4	112.1295	0.074	4	111.2472	0.463	13	111.2472	0.463	13	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	111.0650	0.396	2	111.0650	0.157	2	111.2472	0.463	13	111.2472	0.463	13	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)2(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.9820	0.000	1	110.9820	0.000	1	111.2472	0.463	13	111.2472	0.463	13	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	112.9955	0.028	2	112.9955	0.001	2	112.1472	0.634	5	110.6490	5.090	10	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	111.7185	0.155	2	111.5817	0.068	3	112.1472	0.634	5	110.6490	5.090	10	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,5|C<4>,5|H<1>}	111.3080	0.000	1	111.5817	0.068	3	112.1472	0.634	5	110.6490	5.090	10	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	107.2920	0.000	2	107.2920	0.000	2	109.1508	5.206	5	110.6490	5.090	10	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	112.8790	0.000	1	112.8790	0.000	1	109.1508	5.206	5	110.6490	5.090	10	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	109.1455	0.127	2	109.1455	0.016	2	109.1508	5.206	5	110.6490	5.090	10	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:2:	4:2:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH){1|C<3>,2|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6]){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:2:2:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	3:4:3:2:	4:4:	4:3:3:	C[6,6]-3:C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN){1|H<1>,7|C<3>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|C<4>,2|H<1>,7|C<3>}	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:4:	4:4:1:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6,6](C[6,6]C[6]O[6]H)2(O)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)2(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:4:	4:4:3:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	109.6800	0.000	1	110.2528	0.510	5	110.2528	0.510	5	110.3476	2.189	7	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:4:	4:4:3:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	110.3960	0.737	4	110.2528	0.510	5	110.2528	0.510	5	110.3476	2.189	7	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:4:	4:4:3:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	110.3476	2.189	7	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:1:	4:4:	4:4:3:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	110.3476	2.189	7	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:2:	4:2:	4:3:3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6])	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6]){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.0620	0.000	1	109.2635	0.081	2	109.2635	0.081	2	109.2635	0.081	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:2:	4:2:	4:3:3:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6])	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6]){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|H<1>,5|C<4>}	109.4650	0.000	1	109.2635	0.081	2	109.2635	0.081	2	109.2635	0.081	2	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6]	4:3:2:2:	4:4:	4:2:3:	C[3,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,5,6]-4:C[6,6]-4:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH)	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O)	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH){2|C<3>,4|C<4>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.2841	4.146	54	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:2:3:2:	4:4:	4:2:1:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6]C[6]2){1|O<1>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]O[6]2)(O[6]C[6,6])(O){3|C<3>,3|C<4>}	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:3:2:2:	4:4:	3:4:1:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O){1|H<1>,2|C<4>,4|C<3>}	111.2660	0.000	2	111.2660	0.000	2	111.2660	0.000	2	111.2660	0.000	2	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.7180	0.656	2	107.7180	0.431	2	107.2811	0.851	8	107.2811	0.851	8	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	107.0420	0.000	1	107.1355	1.003	6	107.2811	0.851	8	107.2811	0.851	8	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	106.6853	1.290	3	107.1355	1.003	6	107.2811	0.851	8	107.2811	0.851	8	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:2:2:	4:4:	4:4:1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	107.8575	0.170	2	107.1355	1.003	6	107.2811	0.851	8	107.2811	0.851	8	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	3:4:3:2:	4:4:	4:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:Si[6]-4:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6])	O[6](C[6,6]C[6,6a]C[6,6]C[6])(Si[6]O[6]CC)	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6]){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6])(Si[6]O[6]CC){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:2:3:2:	4:4:	4:3:1:	C[6]-4:O[6]-2:C[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<4>}	112.6595	0.654	2	112.6595	0.428	2	112.6595	0.428	2	112.6595	0.428	2	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2{4|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	111.3970	0.715	3	111.3970	0.511	3	111.5157	0.397	4	111.5157	0.397	4	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:3:2:2:	4:4:	4:3:1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2{1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	111.8720	0.000	1	111.8720	0.000	1	111.5157	0.397	4	111.5157	0.397	4	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:4:2:3:	4:4:	4:3:1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]3)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]H)(O)	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]H)(O){1|O<2>,2|H<1>,5|C<4>}	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6]	4:4:3:2:	4:4:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6]3)(C[6]C[6]HH)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	109.8612	6.305	20	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[3x6]	3:2:1:1:	4:2:	4:3:4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2	O[6](C[6]C[3x6]HH)(O[6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[3x6]HH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	112.6860	2.691	2	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[3x6]	3:2:1:1:	4:4:	4:3:4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]HH){1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	112.6860	2.691	2	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:1:1:	4:3:	3:3:4:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6]-4:S[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	O[6](C[6]C[6,6]FH)(S[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6]FH)(S[6]C[6]O){2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:1:1:	4:4:	3:4:4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2	O[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	115.0485	0.024	6	115.0485	0.001	6	115.0485	0.001	6	115.0485	0.001	6	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:1:1:	4:4:	4:4:3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	112.2280	0.000	1	111.2792	0.794	5	111.2488	0.775	8	111.2488	0.775	8	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:1:1:	4:4:	4:4:3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	111.0420	0.827	4	111.2792	0.794	5	111.2488	0.775	8	111.2488	0.775	8	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:1:1:	4:4:	4:4:3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	110.5915	0.182	2	110.5915	0.033	2	111.2488	0.775	8	111.2488	0.775	8	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:1:1:	4:4:	4:4:3:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	112.4110	0.000	1	112.4110	0.000	1	111.2488	0.775	8	111.2488	0.775	8	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:2:1:	4:4:	3:4:3:	C[6,6]-3:O[6]-2:O-2:H-1:	B[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO)	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO){6|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:2:1:	4:4:	3:4:4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO){1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:4:1:	4:2:	3:4:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	O[6](C[6]C[6,6]CH)(O[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	O[6](C[6]C[6,6]CH)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:2:4:1:	4:4:	3:4:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:3:2:1:	4:2:	4:3:4:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	O[6](C[6]C[6,6]C[6]H)(O[6]C[6])	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	O[6](C[6]C[6,6]C[6]H)(O[6]C[6]){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:3:2:1:	4:4:	3:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:3:2:1:	4:4:	3:4:4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:3:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6]	3:4:2:1:	4:4:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C[6,6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	111.3595	0.250	2	111.3595	0.062	2	111.3595	0.062	2	111.3595	0.062	2	112.4969	3.677	25	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<2>}	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	112.6870	0.000	1	112.6870	0.000	1	113.1640	0.342	3	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	112.9880	0.000	1	112.9880	0.000	1	113.1640	0.342	3	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	113.8170	0.000	1	113.8170	0.000	1	113.1640	0.342	3	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O){1|C<4>,1|H<1>,1|O<2>}	114.9930	0.000	1	114.9930	0.000	1	116.0463	0.943	3	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	116.2400	0.000	1	116.2400	0.000	1	116.0463	0.943	3	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	116.9060	0.000	1	116.9060	0.000	1	116.0463	0.943	3	113.9595	3.580	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:2:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:N-2:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN){1|H<1>,2|C<3>,2|C<4>}	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	113.2860	1.403	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	3:4:2:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:S-2:	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a])	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	112.6140	0.311	2	112.6140	0.097	2	112.6140	0.097	2	113.2860	1.403	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:2:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6,6])(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)(N[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>}	115.4125	0.322	2	115.4125	0.104	2	115.4125	0.104	2	115.4125	0.104	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:3:1:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	112.2965	0.231	2	112.2965	0.053	2	112.2965	0.053	2	112.2965	0.053	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	112.0490	0.000	1	111.4507	0.398	3	111.4507	0.398	3	111.4507	0.398	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:4:1:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|H<1>,2|C<4>}	111.1515	0.510	2	111.4507	0.398	3	111.4507	0.398	3	111.4507	0.398	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:4:2:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:N-2:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN){1|H<1>,2|C<4>}	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	111.7170	0.917	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>}	112.3648	0.447	5	112.3648	0.200	5	111.8746	0.838	7	111.7170	0.917	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:1:1:	4:4:	4:4:3:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	C[6](C[6]O[6]HH)2(CHH)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|H<1>,3|O<2>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){1|C<3>,3|C<4>}	C[6](C[6]O[6]HH)2(CHH){1|C<4>}	110.6490	0.144	2	110.6490	0.021	2	111.8746	0.838	7	111.7170	0.917	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:2:1:	4:4:	3:3:4:	O[6]-2:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:	N[6]-3:C-3:C[6]-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H){1|Ni<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|N<3>,4|C<3>}	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH){1|C<3>,1|C<4>}	111.8260	1.881	2	111.8260	3.538	2	111.8260	3.538	2	111.8260	3.538	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:2:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:2:1:	4:4:	3:4:2:	O[6]-2:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:	C-3:C[6]-4:N[6]-2:	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6])	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H){1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){1|N<2>,4|C<3>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6]){1|C<3>,1|C<4>}	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:3:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	112.2590	0.216	2	112.2590	0.047	2	112.2353	0.025	3	110.8242	3.798	5	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	112.1880	0.000	1	112.1880	0.000	1	112.2353	0.025	3	110.8242	3.798	5	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O){2|C<4>}	108.7075	0.456	2	108.7075	0.208	2	108.7075	0.208	2	110.8242	3.798	5	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	4:2:1:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H)	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H){1|S<2>,2|C<4>}	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>}	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	114.9015	1.811	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	4:2:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH)	C[6](C[6]O[6]CH)(O[6]C[6,6])(O)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>}	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	114.9015	1.811	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	4:3:1:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:1:	4:4:	4:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O)	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	109.2150	0.049	2	109.2150	0.002	2	109.2150	0.002	2	109.2150	0.002	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:2:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H){1|C<4>,3|C<3>}	112.4460	0.000	1	113.0105	0.637	2	113.0105	0.637	2	113.0105	0.637	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:2:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H){1|C<4>,3|C<3>}	113.5750	0.000	1	113.0105	0.637	2	113.0105	0.637	2	113.0105	0.637	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:2:	4:4:	3:4:3:	O[6]-2:C[6]-3:C-4:C-2:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO)	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO){1|C<4>,3|C<3>}	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:2:	4:4:	4:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH){1|C<4>,1|H<1>,1|O<2>}	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:4:	3:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	N[6,6]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O)	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O){1|C<3>,1|H<1>,1|N<3>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:4:	4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O){1|C<4>,2|C<3>,2|H<1>}	115.2045	0.913	2	115.2045	0.833	2	115.2045	0.833	2	115.2045	0.833	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	2:3:4:4:	4:4:	3:4:2:	O[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:S-2:	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC)	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo)	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo){1|C<4>,1|N<2>}	108.4725	0.097	2	108.4725	0.009	2	108.4725	0.009	2	108.4725	0.009	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	3:4:4:	C[6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2{1|O<2>,2|C<4>}	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	110.9610	0.625	5	110.9610	0.391	5	110.9610	0.391	5	110.9610	0.391	5	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	3:4:	4:3:2:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]N[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi)	C[6](C[6]C[6]O)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,1|N<3>}	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:2:	3:4:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2	O[6](C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2{2|C<4>}	O[6](C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:2:	4:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]O[6])(H)2	O[6](C[6]C[6]HH)(O[6]C[6])	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]O[6])(H)2{1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(O[6]C[6]){2|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:3:	4:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]N[6])(H)2{1|C<3>,2|C<4>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|C<4>,4|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH){2|C<4>,3|H<1>,4|C<3>}	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	113.7433	0.180	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	113.2700	0.000	1	113.2700	0.000	1	113.6795	0.335	2	113.7433	0.180	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6]HH)2{1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	114.0890	0.000	1	114.0890	0.000	1	113.6795	0.335	2	113.7433	0.180	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H)	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[4,6]-3:C[6]-4:H-1:	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)	C[6](C[4,6]C[4,6,6]C[4])(C[6]O[6]HH)(H)	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6,6]C[4])(C[6]O[6]HH)(H){2|C<4>,3|H<1>}	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	115.7690	0.000	1	115.7690	0.000	1	115.7690	0.000	1	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O)	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O){1|C<4>,3|C<3>}	114.3020	0.000	2	114.3020	0.000	2	114.3020	0.000	2	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	115.0910	0.934	3	113.9990	2.698	5	113.9990	2.698	5	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	112.3610	0.324	2	113.9990	2.698	5	113.9990	2.698	5	114.1098	1.420	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:2:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:Se-2:	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	112.3115	0.965	2	112.3115	0.932	2	112.3115	0.932	2	111.6767	1.622	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C-3:C[6]-4:N[6]-2:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6])	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|N<2>,2|C<3>}	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6]){1|C<3>,1|C<4>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	111.6767	1.622	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6])	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6]){1|C<4>,1|H<1>,2|C<3>}	109.9640	0.000	1	109.9640	0.000	1	109.9640	0.000	1	111.6767	1.622	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	110.8037	4.969	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-3:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8037	4.969	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-3:C[6]-4:C[4]-3:	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	O[6](C[6]C[6]HH)(S[6]N[6]OO)	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	O[6](C[6]C[6]HH)(S[6]N[6]OO){2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	110.8037	4.969	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	113.3155	0.993	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	3:4:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:S-4:	C[6](C[6]C[6]S)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6]C[6]S)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	113.3155	0.993	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:2:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:H-1:	C[6](C[6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>}	110.8945	2.067	2	110.8945	4.272	2	110.8945	4.272	2	110.8945	4.272	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:2:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6]O[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H)	C[6](C[6]O[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H){1|O<2>,2|C<4>}	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	113.2545	0.046	2	113.2545	0.002	2	113.2463	0.021	4	112.9175	0.311	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	113.2380	0.249	2	113.2380	0.062	2	113.2463	0.021	4	112.9175	0.311	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	O[6](N[6]C[6]PtH)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|Pt<4>,1|C<4>,2|H<1>}	O[6](N[6]C[6]PtH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|N<4>,2|H<1>}	112.2600	0.438	2	112.2600	0.192	2	112.2600	0.192	2	112.9175	0.311	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|H<1>,3|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	111.4870	0.000	1	111.4870	0.000	1	111.2724	0.890	5	111.2289	0.604	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)2{3|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	111.2188	1.081	4	111.2188	1.168	4	111.2724	0.890	5	111.2289	0.604	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-3:C-3:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{2|C<3>,2|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	111.1200	0.165	2	111.1200	0.027	2	111.1200	0.027	2	111.2289	0.604	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	114.4460	0.000	1	114.4460	0.000	1	114.2620	0.068	2	114.2620	0.068	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:3:4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	114.0780	0.000	1	114.0780	0.000	1	114.2620	0.068	2	114.2620	0.068	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[4,6]-4:C[6]-4:O-1:	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]O[6]HH)(O)	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]O[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	114.4535	0.275	2	114.4535	0.076	2	114.4535	0.076	2	112.5479	8.942	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O)	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	112.5479	8.942	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	112.5479	8.942	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>}	111.0830	0.000	1	111.0830	0.000	1	109.6663	4.195	3	112.5479	8.942	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<1>}	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	107.3180	0.000	1	107.3180	0.000	1	109.6663	4.195	3	112.5479	8.942	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O){1|C<4>}	110.5980	0.000	1	110.5980	0.000	1	109.6663	4.195	3	112.5479	8.942	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:2:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[4,6]-4:C[6]-4:C-2:	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC)	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC){1|C<3>,2|C<4>,2|H<1>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH){3|C<4>,3|H<1>}	112.4170	0.339	2	112.4170	0.115	2	112.4170	0.115	2	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|F<1>}	O[6](C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	109.1835	0.844	2	109.1835	0.712	2	110.9554	1.654	9	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	111.4850	0.000	1	111.4850	0.000	1	110.9554	1.654	9	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>,2|H<1>}	112.2233	0.581	3	112.2233	0.338	3	110.9554	1.654	9	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	110.2940	0.000	1	110.2940	0.000	1	110.9554	1.654	9	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<2>,1|C<3>,1|C<4>}	110.9720	0.000	1	110.8915	0.013	2	110.9554	1.654	9	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	110.8110	0.000	1	110.8915	0.013	2	110.9554	1.654	9	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:1:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:H-1:H-1:	Si[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2	O[6](Si[6]O[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH)	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2{1|C<3>,1|O<2>,3|C<4>}	O[6](Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	112.2040	0.000	1	112.2040	0.000	1	112.2040	0.000	1	111.3031	1.611	12	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	3:4:2:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C-3:C[6]-4:N[6]-2:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6])	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|N<2>,2|C<3>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]){1|C<3>,1|C<4>}	110.3890	0.078	2	110.3890	0.006	2	110.3890	0.006	2	110.3890	0.006	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	3:4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C-3:C[6]-4:N[6]-3:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)2	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HO)2{1|N<3>,2|C<3>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni){1|C<3>,1|C<4>}	111.7355	0.405	4	111.7355	0.164	4	111.7355	0.164	4	111.7388	0.123	5	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	3:4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH){1|C<4>,1|H<1>,2|C<3>}	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	111.7388	0.123	5	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>}	112.2740	0.000	1	112.2740	0.000	1	112.7618	1.050	5	112.2699	1.398	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>}	114.5910	0.000	1	114.5910	0.000	1	112.7618	1.050	5	112.2699	1.398	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	112.3675	0.035	2	112.3675	0.001	2	112.7618	1.050	5	112.2699	1.398	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	112.2090	0.000	1	112.2090	0.000	1	112.7618	1.050	5	112.2699	1.398	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]HO)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HO)(C[6]C[6]O)(O){1|C<4>,1|H<1>}	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	112.2699	1.398	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]O[6]HS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HS)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	111.3600	1.519	2	111.3600	2.307	2	111.3600	2.307	2	112.2699	1.398	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO){1|C<4>,1|H<1>,1|O<2>}	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	109.7260	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:3:4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<3>,1|C<4>}	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3){1|C<4>}	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O)	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.5620	0.733	3	111.5620	0.537	3	111.5620	0.537	3	111.5620	0.537	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:2:1:	4:4:	4:4:2:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H){1|C<1>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC){1|C<4>,1|H<1>,1|O<2>}	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:3:1:	3:4:	4:3:2:	C[6]-3:O[6]-2:N-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC){1|N<3>,2|H<1>}	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:3:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	O[6](C[6]C[6]HN)(N[6]C[6]C)	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HN)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br){1|C<4>,1|H<1>,1|N<3>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:3:1:	4:4:	3:4:3:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH){2|C<3>,2|C<4>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:3:1:	4:4:	4:3:1:	N[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H)	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.2535	0.189	2	113.2535	0.036	2	113.2535	0.036	2	113.2535	0.036	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:3:1:	4:4:	4:4:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H){1|H<1>,2|C<3>,2|C<4>}	112.3900	0.000	1	112.3900	0.000	1	112.3900	0.000	1	112.3900	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:3:2:	3:4:	4:3:1:	C[6]-3:O[6]-2:C-3:O-2:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	O[6](N[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]O[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CO){2|H<1>,4|C<3>}	C[6](C[6]O[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	3:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	110.0040	0.000	1	110.0040	0.000	1	109.4440	0.627	2	109.4440	0.627	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	3:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	108.8840	0.000	1	108.8840	0.000	1	109.4440	0.627	2	109.4440	0.627	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:2:	4:3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	109.7183	0.297	3	109.7183	0.088	3	109.7183	0.088	3	109.7183	0.088	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	O[6](C[6]C[6]CH)(N[6]C[6]C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O)	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	112.0742	5.687	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	113.1590	0.000	1	113.1590	0.000	1	113.1590	0.000	1	112.0742	5.687	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|C<3>}	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	112.0742	5.687	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	112.0742	5.687	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	111.9550	0.000	1	111.9550	0.000	1	111.6395	0.199	2	112.0742	5.687	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	111.3240	0.000	1	111.3240	0.000	1	111.6395	0.199	2	112.0742	5.687	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	111.9665	0.914	2	111.5572	0.502	4	111.5607	0.314	6	110.7264	4.916	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	111.1480	0.000	2	111.5572	0.502	4	111.5607	0.314	6	110.7264	4.916	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H){1|C<4>,1|O<1>}	111.3920	0.000	1	111.3920	0.000	1	111.5607	0.314	6	110.7264	4.916	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	111.7430	0.000	1	111.7430	0.000	1	111.5607	0.314	6	110.7264	4.916	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>}	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	110.7264	4.916	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	P[6]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	105.3830	0.000	1	105.3830	0.000	1	105.3830	0.000	1	110.7264	4.916	8	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:3:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O)	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	110.4492	20.162	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	111.8250	0.000	1	111.8250	0.000	1	109.9238	23.133	5	110.4492	20.162	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O){1|C<4>}	101.4670	0.000	1	101.4670	0.000	1	109.9238	23.133	5	110.4492	20.162	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O){1|C<4>,1|H<1>,1|O<2>}	111.3240	0.000	1	111.3240	0.000	1	109.9238	23.133	5	110.4492	20.162	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	112.5015	1.466	2	112.5015	2.149	2	109.9238	23.133	5	110.4492	20.162	6	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:C-3:	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[3,6]HH)(C[6]C[6]CH)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC)	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC){1|C<4>,3|H<1>}	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	111.2900	2.456	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	113.1460	0.000	1	113.1460	0.000	1	111.2000	3.636	3	111.2900	2.456	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	111.1190	0.000	1	111.1190	0.000	1	111.2000	3.636	3	111.2900	2.456	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:1:	4:4:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	109.3350	0.000	1	109.3350	0.000	1	111.2000	3.636	3	111.2900	2.456	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:2:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:3:	3:4:	4:3:1:	C[6]-3:O[6]-2:C-4:C-3:	N[6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:3:	4:2:	4:3:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO)	O[6](C[6]C[6]CC)(O[6]C[6])	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,3|H<1>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(H){1|O<2>,2|H<1>}	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:3:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2	O[6](N[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O[6](N[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|N<3>,2|C<4>,2|H<1>}	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	3:4:	4:3:1:	C[6]-3:O[6]-2:C-4:C-4:	N[6]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]O[6]CC)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]O[6]CC)(N[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:2:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3)	O[6](C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3){2|C<4>}	O[6](C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,3|C<4>}	104.3900	0.000	2	104.3900	0.000	2	106.8162	7.855	4	106.8162	7.855	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:2:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2	O[6](C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	O[6](C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	109.2425	0.135	2	109.2425	0.018	2	106.8162	7.855	4	106.8162	7.855	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:2:	3:4:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:	C[5,6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2	O[6](C[6]C[6]CC)(O[6]C[5,6])	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3)	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	O[6](C[6]C[6]CC)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3){1|C<4>,1|O<1>,3|O<2>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:3:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2	O[6](C[6]C[6]CC)(N[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2{1|C<4>,2|C<3>}	O[6](C[6]C[6]CC)(N[6]C[6]C){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.6530	0.000	1	107.6530	0.000	1	107.6530	0.000	1	107.6530	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:4:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2	O[6](C[6]C[5,6]CC)(C[6]C[6]CC)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	O[6](C[6]C[5,6]CC)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	112.7147	0.587	7	112.7147	0.344	7	112.7147	0.344	7	112.7147	0.344	7	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:4:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[6]CC)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	O[6](C[6]C[6]CC)2{2|C<3>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC){1|C<4>,2|H<1>}	110.3720	0.000	1	110.3720	0.000	1	111.4210	2.201	2	111.4210	2.201	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:2:4:4:	4:4:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[6]CC)2	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|O<1>,3|C<4>}	O[6](C[6]C[6]CC)2{2|C<3>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	112.4700	0.000	1	112.4700	0.000	1	111.4210	2.201	2	111.4210	2.201	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:2:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	O[6](C[6]C[6a]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8290	0.000	1	107.8290	0.000	1	108.7660	1.756	2	108.7660	1.756	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.7030	0.000	1	109.7030	0.000	1	108.7660	1.756	2	108.7660	1.756	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:3:	4:3:2:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH){1|H<1>,1|N<3>,3|C<3>}	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	111.7715	1.071	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.6030	0.000	1	111.6030	0.000	1	111.2270	0.283	2	111.7715	1.071	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	110.8510	0.000	1	110.8510	0.000	1	111.2270	0.283	2	111.7715	1.071	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:1:	N[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	111.7715	1.071	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	112.2005	0.371	2	112.2005	0.138	2	112.2005	0.138	2	111.9035	0.167	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	111.6065	0.098	2	111.6065	0.010	2	111.6065	0.010	2	111.9035	0.167	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|C<3>,2|H<1>}	110.2730	0.000	1	110.2730	0.000	1	109.6792	0.694	4	109.6792	0.694	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br){1|C<4>,2|C<3>,2|H<1>}	110.3610	0.000	1	110.3610	0.000	1	109.6792	0.694	4	109.6792	0.694	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:1:	4:4:	4:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.0415	0.671	2	109.0415	0.450	2	109.6792	0.694	4	109.6792	0.694	4	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:2:	4:4:	3:4:1:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O){1|C<4>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O){1|C<4>,1|H<1>,4|C<3>}	108.8560	0.000	2	108.8560	0.000	2	108.8560	0.000	2	108.8560	0.000	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:4:	4:4:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	112.0630	0.529	2	112.0630	0.280	2	111.7463	0.441	3	111.7463	0.441	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:3:2:4:	4:4:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	111.1130	0.000	1	111.1130	0.000	1	111.7463	0.441	3	111.7463	0.441	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:2:	4:3:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	O[6](C[6]C[6]CH)(O[6]C[6])	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:4:	3:4:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O){3|C<4>,3|H<1>}	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:4:	4:2:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>}	115.1370	0.225	2	115.1370	0.051	2	115.1370	0.051	2	115.1370	0.051	2	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:4:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	111.0420	0.000	1	111.0420	0.000	1	110.9635	0.012	2	112.0480	3.535	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:4:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	110.8850	0.000	1	110.8850	0.000	1	110.9635	0.012	2	112.0480	3.535	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	3:4:2:1:	4:4:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]O[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	112.0480	3.535	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H){2|H<1>,4|C<4>}	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:2:	4:3:1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H)	O[6](C[6]C[6]2H)(O[6]C[6])	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H){1|H<1>,7|C<4>}	O[6](C[6]C[6]2H)(O[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	108.6723	0.251	3	108.6723	0.063	3	108.6723	0.063	3	108.6723	0.063	3	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	115.1755	0.503	2	115.1755	0.253	2	114.6438	0.426	11	114.6438	0.426	11	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	115.1870	0.000	1	114.5257	0.415	9	114.6438	0.426	11	114.6438	0.426	11	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	113.9745	0.715	2	114.5257	0.415	9	114.6438	0.426	11	114.6438	0.426	11	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	114.6978	0.600	5	114.5257	0.415	9	114.6438	0.426	11	114.6438	0.426	11	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	114.1060	0.000	1	114.5257	0.415	9	114.6438	0.426	11	114.6438	0.426	11	111.8390	4.782	248	110.9449	7.218	452
466	622	762	6:SP3_SP2_SP3	C[6]	O[6]	C[6]	4:3:2:1:	4:4:	4:4:1:	C[5]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC)	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	111.8390	4.782	248	110.9449	7.218	452
466	622	786	0:SP3_SP3_SP3	C[6]	O[6]	B[5,5]	4:4:2:1:	4:4:	4:4:2:2:	B[5,5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH)	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|H<1>,5|C<4>}	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1
466	622	790	0:SP3_SP-NON_SP3	C[6]	O[6]	Cl	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC)	Cl(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(C[6]C[5,6]O[6]C)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1
466	622	813	0:SP3_SP2_SP2	C[6,6]	O[6]	N[5a,6]	3:4:2:4:	4:3:	4:3:2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	108.5790	0.874	4	108.6690	0.613	5	108.6690	0.613	5	108.6690	0.613	5	108.6690	0.613	5	108.1740	1.204	7
466	622	813	0:SP3_SP2_SP2	C[6,6]	O[6]	N[5a,6]	3:4:2:4:	4:3:	4:3:2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	109.0290	0.000	1	108.6690	0.613	5	108.6690	0.613	5	108.6690	0.613	5	108.6690	0.613	5	108.1740	1.204	7
466	622	813	0:SP3_SP2_SP2	C[6]	O[6]	N[5a]	3:4:2:1:	4:3:	3:4:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,3|C<3>,3|H<1>}	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	106.9365	0.485	2	108.1740	1.204	7
466	622	813	0:SP3_SP2_SP2	C[6]	O[6]	N[5a]	3:4:2:1:	4:3:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.9365	0.485	2	108.1740	1.204	7
466	622	813	0:SP3_SP2_SP3	C[6,6]	O[6]	N[5a,6]	3:4:2:1:	4:4:	4:3:2:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH)	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|O<2>,2|C<4>,4|H<1>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:2:3:1:	4:4:	4:3:3:	N[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H){2|O<2>,3|C<3>,4|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	105.9135	0.572	2	105.9135	0.327	2	105.9135	0.327	2	105.9135	0.327	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:3:2:1:	4:4:	3:4:2:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.1720	0.000	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:3:2:1:	4:4:	3:4:2:	N[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1720	0.000	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	109.0710	0.000	1	109.0710	0.000	1	108.5390	1.213	4	108.5390	1.213	4	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.8120	0.000	1	109.8120	0.000	1	108.5390	1.213	4	108.5390	1.213	4	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.6365	0.327	2	107.6365	0.107	2	108.5390	1.213	4	108.5390	1.213	4	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:4:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	107.2975	0.615	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:4:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	107.2975	0.615	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:4:3:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.5370	0.000	1	104.5370	0.000	1	104.5370	0.000	1	105.5691	2.455	9	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:4:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.6450	0.740	3	105.6450	0.547	3	105.6981	2.634	8	105.5691	2.455	9	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:4:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	108.9560	0.000	1	108.9560	0.000	1	105.6981	2.634	8	105.5691	2.455	9	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	3:4:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|S<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	104.9235	1.201	4	104.9235	1.441	4	105.6981	2.634	8	105.5691	2.455	9	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	105.4130	0.000	1	104.9240	0.478	2	105.7025	2.470	13	105.7754	2.354	14	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	104.4350	0.000	1	104.9240	0.478	2	105.7025	2.470	13	105.7754	2.354	14	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	105.8441	1.665	11	105.8441	2.773	11	105.7025	2.470	13	105.7754	2.354	14	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	106.7230	0.000	1	106.7230	0.000	1	106.7230	0.000	1	105.7754	2.354	14	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|C<4>,3|H<1>}	107.9860	0.044	2	108.0927	0.035	3	108.0927	0.035	3	108.0927	0.035	3	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<4>}	108.3060	0.000	1	108.0927	0.035	3	108.0927	0.035	3	108.0927	0.035	3	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:4:	4:4:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.7420	0.000	1	108.5330	2.923	2	108.5330	2.923	2	108.5330	2.923	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	3:4:2:4:	4:4:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	107.3240	0.000	1	108.5330	2.923	2	108.5330	2.923	2	108.5330	2.923	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP2_SP3	C[6]	O[6]	N[5a]	4:3:2:1:	4:4:	3:4:3:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.5430	1.185	2	107.5430	1.404	2	107.5430	1.404	2	107.5430	1.404	2	106.7082	3.494	40	106.7780	3.606	41
466	622	813	0:SP3_SP3_SP3	C[6]	O[6]	N[5a]	3:4:2:1:	4:4:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1
466	622	813	6:SP3_SP2_SP2	C[6]	O[6]	N[5a,6]	3:2:4:1:	3:4:	3:3:4:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	109.3704	1.032	5	109.3704	1.032	5
466	622	813	6:SP3_SP2_SP2	C[6]	O[6]	N[5a,6]	3:3:2:1:	3:4:	3:3:4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	109.7990	0.000	1	109.0705	1.061	2	109.0705	1.061	2	109.0705	1.061	2	109.3704	1.032	5	109.3704	1.032	5
466	622	813	6:SP3_SP2_SP2	C[6]	O[6]	N[5a,6]	3:3:2:1:	3:4:	3:3:4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	108.3420	0.000	1	109.0705	1.061	2	109.0705	1.061	2	109.0705	1.061	2	109.3704	1.032	5	109.3704	1.032	5
466	622	813	6:SP3_SP2_SP2	C[6]	O[6]	N[5a,6]	3:3:2:4:	4:3:	3:4:3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O){5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	110.2230	0.461	2	110.2230	0.213	2	110.2230	0.213	2	110.2230	0.213	2	109.3704	1.032	5	109.3704	1.032	5
466	622	813	6:SP3_SP2_SP3	C[6]	O[6]	N[5a,6]	3:3:3:2:	4:4:	3:3:4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	107.5495	0.384	2	107.5495	0.147	2	107.5495	0.147	2	107.5495	0.147	2	106.0923	4.329	4	106.0923	4.329	4
466	622	813	6:SP3_SP2_SP3	C[6]	O[6]	N[5a,6]	3:3:3:2:	4:4:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	O[6](C[3x6]C[3x6]2O[6])(C[6]N[5a,6]C[6a]2)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	O[6](C[3x6]C[3x6]2O[6])(C[6]N[5a,6]C[6a]2){1|N<2>,2|H<1>,4|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	104.6350	4.345	2	106.0923	4.329	4	106.0923	4.329	4
466	622	813	6:SP3_SP2_SP3	C[6]	O[6]	N[5a,6]	3:3:3:2:	4:4:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H){1|N<2>,7|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	104.6350	4.345	2	106.0923	4.329	4	106.0923	4.329	4
466	622	818	0:SP3_SP2_SP2	C[6]	O[6]	C[5]	2:4:3:1:	3:4:	4:3:3:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N[5]-3:N[5]-3:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2{1|C<3>,1|O<2>,6|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	107.0250	11.607	2	107.0250	11.607	2
466	622	818	0:SP3_SP2_SP2	C[6]	O[6]	C[5]	2:4:3:2:	3:4:	4:3:2:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:N[5]-3:N[5]-2:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O)	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,6|H<1>}	104.6160	0.000	1	104.6160	0.000	1	104.6160	0.000	1	104.6160	0.000	1	107.0250	11.607	2	107.0250	11.607	2
466	622	818	0:SP3_SP2_SP3	C[6,6]	O[6]	C[5,6]	3:4:2:1:	4:4:	4:4:2:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH){1|N<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	109.2630	0.016	2	109.2630	0.000	2	109.2630	0.000	2	109.9923	1.596	3	109.9923	1.596	3	109.9923	1.596	3
466	622	818	0:SP3_SP2_SP3	C[6,6]	O[6]	C[5,6]	3:4:2:1:	4:4:	4:4:2:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|H<1>,1|N<2>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	109.9923	1.596	3	109.9923	1.596	3	109.9923	1.596	3
466	622	818	6:SP3_SP2_SP2	C[6]	O[6]	C[5,6]	3:2:1:1:	3:4:	3:4:3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C){2|C<3>,2|H<1>}	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	108.5160	0.584	5	108.5160	0.584	5
466	622	818	6:SP3_SP2_SP2	C[6]	O[6]	C[5,6]	3:2:1:1:	3:4:	4:3:4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	108.0930	0.000	1	108.0930	0.000	1	108.6820	0.270	3	108.6820	0.270	3	108.5160	0.584	5	108.5160	0.584	5
466	622	818	6:SP3_SP2_SP2	C[6]	O[6]	C[5,6]	3:2:1:1:	3:4:	4:3:4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH){4|C<3>}	108.9765	0.139	2	108.9765	0.019	2	108.6820	0.270	3	108.6820	0.270	3	108.5160	0.584	5	108.5160	0.584	5
466	622	818	6:SP3_SP2_SP2	C[6]	O[6]	C[5,6]	3:2:4:1:	3:4:	4:3:4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	108.5160	0.584	5	108.5160	0.584	5
466	622	818	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[5,6,6]	3:4:2:1:	4:2:	3:4:3:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	3:3:4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:	N[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2{2|C<3>,2|C<4>,2|N<3>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	3:4:2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH){1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<3>,2|C<4>,2|H<1>}	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	109.6666	1.128	7	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	3:4:2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	109.9890	0.708	3	110.0892	0.374	4	110.0892	0.374	4	109.6666	1.128	7	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	3:4:2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|Se<1>,1|C<4>,1|H<1>,2|C<3>}	110.3900	0.000	1	110.0892	0.374	4	110.0892	0.374	4	109.6666	1.128	7	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	3:4:2:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	109.9105	0.260	2	109.9105	0.067	2	109.9105	0.067	2	109.6666	1.128	7	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	3:4:3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	4:3:4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:1:1:	4:4:	4:4:3:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:2:1:	4:4:	4:4:3:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.9710	0.000	1	107.9710	0.000	1	107.3410	0.298	3	107.3410	0.298	3	109.5044	2.591	14	109.2455	3.410	15
466	622	818	6:SP3_SP2_SP3	C[6]	O[6]	C[5,6]	3:2:2:1:	4:4:	4:4:3:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.0260	0.000	2	107.0260	0.000	2	107.3410	0.298	3	107.3410	0.298	3	109.5044	2.591	14	109.2455	3.410	15
466	622	830	0:SP3_SP-NON_SP2	C[6]	O[6]	F	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)	F(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH){1|C<4>,2|C<3>,3|H<1>}	F(C[6]C[6]O[6]H)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.2870	0.701	5	107.2870	0.701	5
466	622	830	0:SP3_SP-NON_SP2	C[6]	O[6]	F	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)	F(C[6]C[6]O[6]F)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF){1|C<4>,2|H<1>,3|C<3>}	F(C[6]C[6]O[6]F)	106.7920	1.406	2	106.7920	1.976	2	106.7920	1.976	2	106.7920	1.976	2	107.2870	0.701	5	107.2870	0.701	5
466	622	830	0:SP3_SP-NON_SP2	C[6]	O[6]	F	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O)	F(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O){1|C<3>,2|C<4>,2|H<1>}	F(C[6]C[5,6]O[6]H)	107.6300	0.000	1	107.6545	0.001	2	107.6545	0.001	2	107.6545	0.001	2	107.2870	0.701	5	107.2870	0.701	5
466	622	830	0:SP3_SP-NON_SP2	C[6]	O[6]	F	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O)	F(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O){2|H<1>,3|C<4>}	F(C[6]C[5,6]O[6]H)	107.6790	0.000	1	107.6545	0.001	2	107.6545	0.001	2	107.6545	0.001	2	107.2870	0.701	5	107.2870	0.701	5
466	622	830	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	F	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	F(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	106.1410	0.000	1	106.1410	0.000	1	107.0916	0.738	7	107.0916	0.738	7	107.0916	0.738	7	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	F	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]FH)	F(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]FH){1|C<4>,2|O<2>,4|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	107.6560	0.368	3	107.6560	0.136	3	107.0916	0.738	7	107.0916	0.738	7	107.0916	0.738	7	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	F	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	F(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	106.8440	1.027	3	106.8440	1.056	3	107.0916	0.738	7	107.0916	0.738	7	107.0916	0.738	7	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	3:2:1:1:	4:3:	4:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6]-4:S[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	O[6](C[6]C[6,6]FH)(S[6]C[6]O)	F(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6]FH)(S[6]C[6]O){2|C<3>,2|H<1>}	F(C[6]C[6,6]O[6]H)	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	107.4692	6.019	13	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H)	O[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)	F(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]FH)(C[6]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[5,6]O[6]H)	106.8118	2.878	5	106.8118	8.284	5	106.8118	8.284	5	107.5436	6.488	12	107.4692	6.019	13	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)2	O[6](C[6]C[6]FF)(C[6]C[6]FH)	F(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]FF)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]O[6]F)	107.6790	2.690	2	107.6790	7.235	2	107.6790	7.235	2	107.5436	6.488	12	107.4692	6.019	13	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]O[6]H)	108.6220	0.000	1	108.9590	0.227	2	108.2212	6.497	5	107.5436	6.488	12	107.4692	6.019	13	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]O[6]H)	109.2960	0.000	1	108.9590	0.227	2	108.2212	6.497	5	107.5436	6.488	12	107.4692	6.019	13	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]FF)(C[6]C[6]FH)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O[6](C[6]C[6]FF)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]O[6]H)	103.7340	0.000	1	103.7340	0.000	1	108.2212	6.497	5	107.5436	6.488	12	107.4692	6.019	13	107.3370	4.069	20
466	622	830	0:SP3_SP-NON_SP3	C[6]	O[6]	F	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]FH)2	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]FH)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]O[6]H)	109.7270	0.044	2	109.7270	0.002	2	108.2212	6.497	5	107.5436	6.488	12	107.4692	6.019	13	107.3370	4.069	20
466	622	849	6:SP3_SP2_SP3	C[6]	O[6]	P[6]	4:2:4:1:	3:4:	3:4:4:1:	P[6]-4:O[6]-2:B-4:H-1:	B[6]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H)	O[6](B[6]C[6a]C[6])(C[6]P[6]BH)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H)	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](B[6]C[6a]C[6])(C[6]P[6]BH){1|C<4>,3|C<3>,3|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	113.2490	0.318	2	113.2490	0.101	2	113.2490	0.101	2	113.2490	0.101	2	113.2490	0.101	2	113.2490	0.101	2
466	622	849	6:SP3_SP3_SP3	C[3x6]	O[6,6]	P[6,6]	4:4:2:4:	4:4:	4:4:4:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:P[6,6]-4:O-1:	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(P[6,6]C[3x6]2O)(O)	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|O<1>,2|O<2>,6|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<1>,1|P<4>,2|C<4>,4|H<1>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(P[6,6]C[3x6]2O)(O){2|O<2>,4|H<1>,6|C<4>}	107.4370	1.581	2	107.4370	2.500	2	107.4370	2.500	2	107.4370	2.500	2	106.6730	2.059	4	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[3x6]	O[6,6]	P[6,6]	4:4:2:4:	4:4:	4:4:4:4:	C[6,6]-4:P[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){4|C<4>,4|H<1>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2{2|C<4>,4|H<1>}	105.9090	1.158	2	105.9090	1.342	2	105.9090	1.342	2	105.9090	1.342	2	106.6730	2.059	4	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	3:4:2:1:	4:4:	4:4:2:1:	C[6a]-3:P[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	P[6](C[6]C[6a]O[6]H)2(OH)(O)	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H){1|O<2>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	P[6](C[6]C[6a]O[6]H)2(OH)(O){1|C<4>,4|C<3>}	110.4020	0.984	2	110.4020	0.969	2	110.4020	0.969	2	110.4020	0.969	2	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:2:1:1:	4:4:	3:3:3:4:	P[6]-4:O[6]-2:H-1:H-1:	B[5a,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH)	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2{2|O<2>,6|C<3>}	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH){6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH){1|B<4>,5|H<1>,6|C<3>}	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:2:1:1:	4:4:	4:2:2:1:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:O-1:	C[6](P[6]O[6]OO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]P[6]HH)	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O)	C[6](P[6]O[6]OO)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]P[6]HH){1|O<1>,2|H<1>,2|O<2>}	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O){1|C<4>,2|H<1>}	110.3160	1.045	4	110.3160	1.093	4	110.3160	1.093	4	110.3160	1.093	4	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:2:1:1:	4:4:	4:4:2:1:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:O-1:	C[6](P[6]C[6]OO)(O[6]C[6])(H)2	O[6](C[6]P[6]HH)2	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O)	C[6](P[6]C[6]OO)(O[6]C[6])(H)2{1|P<4>,4|H<1>}	O[6](C[6]P[6]HH)2{1|C<4>,2|O<1>,2|O<2>}	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>}	111.9567	1.337	4	111.9567	1.789	4	111.9567	1.789	4	111.9567	1.789	4	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:2:1:1:	4:4:	4:4:4:1:	P[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:S-1:	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]P[6]HH)	P[6](C[6]O[6]HH)2(CC[5]HH)(S)	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]P[6]HH){1|S<1>,2|C<4>,2|P<4>}	P[6](C[6]O[6]HH)2(CC[5]HH)(S){1|P<4>}	111.2350	1.165	2	111.2350	1.358	2	111.2350	1.358	2	111.2350	1.358	2	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:2:3:1:	4:4:	3:3:4:4:	P[6]-4:O[6]-2:C-3:H-1:	B[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH){1|B<4>,2|H<1>,4|C<3>,4|C<4>}	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:3:2:1:	4:4:	4:3:3:4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	99.4106	0.000	1	99.4106	0.000	1	105.3293	70.062	2	105.3293	70.062	2	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:3:2:1:	4:4:	4:3:3:4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	111.2480	0.000	1	111.2480	0.000	1	105.3293	70.062	2	105.3293	70.062	2	110.0803	10.785	17	109.4313	10.817	21
466	622	849	6:SP3_SP3_SP3	C[6]	O[6]	P[6]	4:3:2:1:	4:4:	4:4:3:3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H){1|H<1>,2|C<4>,8|C<3>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	110.0803	10.785	17	109.4313	10.817	21
466	622	856	0:SP3_SP2_SP2	C[3x6]	O[6]	N[6]	4:2:4:3:	4:3:	4:3:4:	C[3x6]-4:O[6]-2:C[6]-4:N[6]-3:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6]-3:C-4:	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C)	O[6](C[3x6]C[3x6]C[6]N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[3x6]C[6]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	3:2:3:1:	3:4:	4:3:4:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3){1|N<3>,3|C<3>}	106.4680	0.000	2	106.4680	0.000	2	106.4680	0.000	2	106.4680	0.000	2	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	3:3:2:1:	3:4:	3:4:4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	3:4:2:1:	3:4:	4:3:4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	3:4:3:2:	3:4:	4:3:1:	C[5a]-3:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6])	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a]){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[5a]N[6]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:1:	3:4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	109.0605	1.505	2	109.0605	2.266	2	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	110.4860	0.000	1	110.4860	0.000	1	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|S<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	108.5980	0.000	1	108.8003	0.667	3	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	108.1040	0.000	1	108.8003	0.667	3	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	109.6990	0.000	1	108.8003	0.667	3	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	108.5480	0.000	1	108.6715	0.031	2	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	108.7950	0.000	1	108.6715	0.031	2	109.0439	0.881	8	109.0439	0.881	8	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:3:4:	3:4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>,2|H<1>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:1:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]O){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	109.1630	0.000	1	109.1630	0.000	1	109.1460	0.001	2	109.1460	0.001	2	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	109.1290	0.000	1	109.1290	0.000	1	109.1460	0.001	2	109.1460	0.001	2	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:3:	4:3:	4:3:4:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:4:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH){6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	106.1778	0.450	6	106.1778	0.202	6	106.4668	0.405	9	106.4668	0.405	9	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:4:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	106.7705	0.524	2	106.7705	0.275	2	106.4668	0.405	9	106.4668	0.405	9	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:4:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	107.5930	0.000	1	107.5930	0.000	1	106.4668	0.405	9	106.4668	0.405	9	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:3:2:	3:4:	4:3:4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){4|C<4>,6|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	107.9490	0.000	1	107.9490	0.000	1	108.5883	0.387	3	108.5883	0.387	3	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:3:2:	3:4:	4:3:4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){2|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	108.6240	0.000	1	108.6240	0.000	1	108.5883	0.387	3	108.5883	0.387	3	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:3:2:	3:4:	4:3:4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){2|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	109.1920	0.000	1	109.1920	0.000	1	108.5883	0.387	3	108.5883	0.387	3	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:3:2:	4:3:	4:3:1:	C[6,6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a])	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	109.9985	0.025	2	109.9985	0.001	2	109.9985	0.001	2	109.9985	0.001	2	108.1547	2.038	33	108.1134	2.034	34
466	622	856	0:SP3_SP2_SP3	C[3x6]	O[6]	N[6,6]	4:3:2:1:	3:4:	4:4:4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H){1|H<1>,3|C<4>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	110.1780	0.000	1	110.1780	0.000	1	110.4180	0.115	2	110.4180	0.115	2	110.4180	0.115	2	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[3x6]	O[6]	N[6,6]	4:3:2:1:	3:4:	4:4:4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H){1|H<1>,3|C<4>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	110.6580	0.000	1	110.6580	0.000	1	110.4180	0.115	2	110.4180	0.115	2	110.4180	0.115	2	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[3x6]	O[6]	N[6]	4:4:3:2:	4:3:	4:4:4:	C[3x6]-4:C[6]-4:N[6]-3:O[6]-2:	C[3x6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6]){1|O<1>,4|C<4>,6|H<1>}	O[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH){2|C<3>,3|C<4>,4|H<1>}	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	3:2:2:4:	3:4:	3:4:4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	3:3:2:1:	4:4:	3:4:1:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>}	109.3325	0.728	2	109.3325	0.529	2	109.3325	0.529	2	109.3325	0.529	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	3:3:2:1:	4:4:	3:4:4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	107.9340	0.042	2	107.9340	0.002	2	107.9340	0.002	2	107.9340	0.002	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	3:4:2:1:	3:4:	4:4:3:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:3:1:	3:4:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	104.9240	0.000	1	104.9240	0.000	1	104.9240	0.000	1	104.9240	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:3:1:	3:4:	4:4:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[5,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	107.7690	0.262	2	107.7690	0.068	2	107.7690	0.068	2	107.7690	0.068	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:3:1:	4:3:	4:4:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	107.8330	0.000	1	108.3990	0.641	2	108.3990	0.641	2	108.3990	0.641	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:3:1:	4:3:	4:4:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	108.9650	0.000	1	108.3990	0.641	2	108.3990	0.641	2	108.3990	0.641	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:4:3:	4:3:	4:4:4:	C[6,6]-4:O[6]-2:C[6]-4:N[6]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6a]C[6,6a]C[6a]){2|C<3>,4|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.2990	0.000	1	108.2990	0.000	1	110.4273	3.397	3	110.4273	3.397	3	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	111.4915	0.013	2	111.4915	0.000	2	110.4273	3.397	3	110.4273	3.397	3	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	3:4:3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]N[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	4:3:1:	C[3x6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC)	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	108.4841	0.466	16	108.4841	0.217	16	108.4841	0.217	16	108.4238	0.226	18	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<4>}	108.1220	0.000	1	108.1220	0.000	1	107.9420	0.065	2	108.4238	0.226	18	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	4:3:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|H<1>}	107.7620	0.000	1	107.7620	0.000	1	107.9420	0.065	2	108.4238	0.226	18	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:2:3:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:3:2:	3:4:	4:3:1:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){1|H<1>,3|C<4>,6|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,5|C<3>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:3:2:	4:4:	4:4:1:	C[3x6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6])	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H)	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6]){11|C<3>,3|H<1>}	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6]){1|C<4>,1|H<1>,8|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H){1|C<4>,1|N<2>,1|O<1>,8|C<3>}	104.4650	0.000	1	104.4650	0.000	1	104.4650	0.000	1	104.4650	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:3:4:2:	4:4:	3:4:1:	C[6]-4:N[6]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)	N[6](C[6,6]N[5,6,6]N[6])(C[6,6]C[6]2O[6])(H)	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6]){2|N<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6]2N[6])(C[6]C[6]CH){2|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]N[5,6,6]N[6])(C[6,6]C[6]2O[6])(H){1|C<3>,4|H<1>,5|C<4>}	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:4:3:2:	4:3:	4:4:4:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6,6]C[6a])	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6]){3|C<3>,3|C<4>,8|H<1>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6,6]C[6a]){3|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,7|H<1>}	106.7580	0.000	1	106.7580	0.000	1	106.3490	0.335	2	106.3490	0.335	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:4:3:2:	4:3:	4:4:4:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,3|O<2>,7|H<1>}	105.9400	0.000	1	105.9400	0.000	1	106.3490	0.335	2	106.3490	0.335	2	108.3730	2.222	41	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:4:3:4:	3:4:	4:4:4:	O[6]-2:C[6]-4:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C)	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3){2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	109.6401	8.930	7	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:3:	4:4:4:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O)	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O){2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	109.6401	8.930	7	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6]	O[6]	N[6]	4:2:3:1:	3:4:	4:4:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,9|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	110.6260	3.134	2	110.6260	9.821	2	111.5725	4.486	4	111.5725	4.486	4	109.6401	8.930	7	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6]	O[6]	N[6]	4:2:3:1:	3:4:	4:4:4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,8|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	112.5190	0.228	2	112.5190	0.052	2	111.5725	4.486	4	111.5725	4.486	4	109.6401	8.930	7	108.5716	3.363	51
466	622	856	0:SP3_SP2_SP3	C[6]	O[6]	N[6]	4:2:3:4:	3:4:	4:4:4:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]C)	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]C){1|C<3>,4|C<4>,4|H<1>}	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	109.6401	8.930	7	108.5716	3.363	51
466	622	856	0:SP3_SP3_SP3	C[6,6]	O[6]	N[6]	4:3:2:1:	4:4:	4:4:4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H){1|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|S<4>,3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	108.1105	6.488	4	108.1105	6.488	4
466	622	856	0:SP3_SP3_SP3	C[6,6]	O[6]	N[6]	4:3:2:4:	4:4:	4:4:4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	106.4690	0.226	2	106.4690	0.051	2	106.4690	0.051	2	106.4690	0.051	2	108.1105	6.488	4	108.1105	6.488	4
466	622	856	0:SP3_SP3_SP3	C[6,6]	O[6]	N[6]	4:4:2:3:	4:4:	4:4:4:	C[6,6]-4:C[6]-4:O[6]-2:N[6]-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6]C[6,6]C[6]H)	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2){5|C<4>,9|H<1>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<2>,5|H<1>,6|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{2|O<2>,3|C<4>,7|H<1>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	108.1105	6.488	4	108.1105	6.488	4
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6,6]	2:3:3:2:	4:3:	4:4:3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	109.6185	0.591	8	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:3:	4:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2){6|C<3>}	110.1395	1.510	2	110.1395	2.279	2	110.1395	2.279	2	110.1395	2.279	2	109.6185	0.591	8	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6,6]	3:4:2:1:	4:3:	3:4:3:	N[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	109.6600	0.016	2	109.6600	0.000	2	109.6600	0.000	2	109.5053	0.072	3	109.6185	0.591	8	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6,6]	3:4:2:1:	4:3:	3:4:3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.5053	0.072	3	109.6185	0.591	8	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6,6]	4:3:3:2:	4:3:	4:4:3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6a]C[6])	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	108.9845	0.084	2	108.9845	0.007	2	108.9845	0.007	2	108.9845	0.007	2	109.6185	0.591	8	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	2:4:4:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,4|H<1>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	107.5045	1.822	6	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	2:4:4:3:	3:4:	4:3:3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	107.9550	0.000	1	107.9550	0.000	1	106.7518	0.720	4	106.7518	0.720	4	107.5045	1.822	6	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	2:4:4:3:	3:4:	4:3:3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6]){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	106.3507	0.340	3	106.3507	0.116	3	106.7518	0.720	4	106.7518	0.720	4	107.5045	1.822	6	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:3:2:1:	3:4:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	107.5045	1.822	6	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	2:3:4:1:	3:4:	3:4:1:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H){2|C<3>}	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:4:3:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6]N[6])(C[6]N[6]HH)	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	O[6](C[6]C[6]N[6])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:2:1:1:	3:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	113.9550	0.000	1	114.2045	0.125	2	114.2045	0.125	2	114.2045	0.125	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:2:1:1:	3:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	114.4540	0.000	1	114.2045	0.125	2	114.2045	0.125	2	114.2045	0.125	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:3:4:	N[6]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	114.2810	0.000	1	114.2810	0.000	1	114.2810	0.000	1	114.2810	0.000	1	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:3:2:1:	4:3:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	108.8165	0.394	2	108.8165	0.155	2	108.8165	0.155	2	108.8165	0.155	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:3:2:3:	4:3:	4:3:1:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:3:2:4:	4:3:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){7|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	105.6400	0.000	1	105.6400	0.000	1	105.6400	0.000	1	107.2750	5.346	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:3:2:4:	4:3:	4:3:3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	O[6](C[6]C[6]N[6]C)(C[6]C[6]C)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6]N[6]C)(C[6]C[6]C){5|C<3>}	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	107.2750	5.346	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	109.0660	0.000	1	108.5450	0.543	2	108.5450	0.543	2	108.5450	0.543	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:3:3:2:	4:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){2|C<4>,5|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	108.0240	0.000	1	108.5450	0.543	2	108.5450	0.543	2	108.5450	0.543	2	110.0940	7.909	12	109.3501	5.116	26
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	110.4800	0.000	1	110.4800	0.000	1	109.9963	0.324	7	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	110.1785	0.018	2	110.1785	0.000	2	109.9963	0.324	7	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	109.1450	0.000	1	109.9450	1.280	2	109.9963	0.324	7	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	110.7450	0.000	1	109.9450	1.280	2	109.9963	0.324	7	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	109.8220	0.000	1	109.6235	0.079	2	109.9963	0.324	7	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	109.4250	0.000	1	109.6235	0.079	2	109.9963	0.324	7	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3,3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3,3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H){1|C<3>,4|H<1>,5|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	109.6980	0.000	1	109.6980	0.000	1	109.4557	0.084	3	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[3x6]	O[6,6]	N[6,6]	3:2:2:1:	4:4:	4:4:3:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H){1|C<3>,4|H<1>,5|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	109.3345	0.284	2	109.3345	0.080	2	109.4557	0.084	3	109.8341	0.303	10	109.8341	0.303	10	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6,6]	N[6]	3:2:3:1:	4:4:	3:4:1:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	2:3:3:2:	4:4:	4:4:3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6])	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:2:4:1:	3:4:	4:4:4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	112.8710	0.519	2	112.8710	0.269	2	112.9142	0.093	5	112.9142	0.093	5	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:2:4:1:	3:4:	4:4:4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	113.0655	0.073	2	113.0655	0.005	2	112.9142	0.093	5	112.9142	0.093	5	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:2:4:1:	3:4:	4:4:4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	112.6980	0.000	1	112.6980	0.000	1	112.9142	0.093	5	112.9142	0.093	5	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:3:	4:4:1:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6]C[6,6a]O[6]H)2(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(H){4|C<3>}	110.1545	3.775	2	110.1545	14.252	2	110.1545	14.252	2	110.1545	14.252	2	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3){4|C<3>}	110.3090	2.394	2	110.3090	5.732	2	110.3090	5.732	2	111.7692	3.422	5	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	113.0300	0.593	2	113.0300	0.351	2	113.0300	0.351	2	111.7692	3.422	5	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:P[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.7692	3.422	5	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	3:3:4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH){5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	109.8900	2.456	3	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	3:4:3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	109.5660	0.000	1	109.5660	0.000	1	109.0380	0.558	2	109.8900	2.456	3	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	3:4:3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	108.5100	0.000	1	108.5100	0.000	1	109.0380	0.558	2	109.8900	2.456	3	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	4:3:4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:4:	4:4:	4:4:3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	3:4:2:4:	4:4:	3:4:3:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6,6]	O[6]	N[6,6]	4:3:2:1:	4:3:	3:4:4:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	110.3920	1.001	2	110.3920	1.003	2	110.3920	1.003	2	110.3920	1.003	2	111.0169	3.781	23	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.5200	0.276	2	110.5200	0.076	2	110.5200	0.076	2	110.6723	0.108	3	110.1605	1.120	4	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	3:4:4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.6723	0.108	3	110.1605	1.120	4	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6,6]	3:2:1:1:	3:4:	4:4:4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO){4|C<3>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	110.1605	1.120	4	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	112.5825	0.575	2	112.5825	0.330	2	113.7206	0.400	25	113.7206	0.400	25	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	113.7136	0.601	14	113.7912	0.358	16	113.7206	0.400	25	113.7206	0.400	25	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	114.3340	0.055	2	113.7912	0.358	16	113.7206	0.400	25	113.7206	0.400	25	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	113.6630	0.000	1	113.6630	0.000	1	113.7206	0.400	25	113.7206	0.400	25	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	113.8213	0.432	4	113.8213	0.187	4	113.7206	0.400	25	113.7206	0.400	25	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	114.1220	0.549	2	114.1220	0.301	2	113.7206	0.400	25	113.7206	0.400	25	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:1:1:	4:4:	4:3:4:	O[6]-2:N[6]-3:H-1:H-1:	B[3x6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH)	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH){1|C<3>,2|H<1>,6|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	110.6720	0.379	2	110.6720	0.144	2	110.6720	0.144	2	110.6720	0.144	2	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:3:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:4:1:	3:4:	4:4:1:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	2:3:4:1:	3:4:	4:4:4:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	3:4:	3:4:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|C<3>,2|N<3>}	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	3:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.7390	0.560	2	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	3:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	113.7390	0.560	2	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	3:4:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:C-4:	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH){1|C<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	113.0845	0.308	4	113.0845	0.095	4	113.0845	0.095	4	113.0845	0.095	4	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:1:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](N[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]CC)(C[6]N[6]HH)	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	C[6](N[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH){2|C<4>}	108.9410	0.000	1	108.9410	0.000	1	109.9110	1.651	10	109.9110	1.651	10	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH){2|C<4>}	110.7840	0.000	1	110.7840	0.000	1	109.9110	1.651	10	109.9110	1.651	10	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	108.2690	0.345	2	108.2690	0.119	2	109.9110	1.651	10	109.9110	1.651	10	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3){2|C<4>}	110.1150	1.180	4	110.1150	1.391	4	109.9110	1.651	10	109.9110	1.651	10	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH){2|C<4>}	111.2710	0.000	1	111.2710	0.000	1	109.9110	1.651	10	109.9110	1.651	10	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:3:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3){2|C<4>}	111.1160	0.000	1	111.1160	0.000	1	109.9110	1.651	10	109.9110	1.651	10	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:4:1:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6]HH){1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	113.6540	0.000	1	113.6540	0.000	1	112.6446	3.052	8	112.6446	3.052	8	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	109.7120	0.000	1	112.5098	4.039	6	112.6446	3.052	8	112.6446	3.052	8	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	113.3730	0.000	1	112.5098	4.039	6	112.6446	3.052	8	112.6446	3.052	8	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	114.8850	0.000	1	112.5098	4.039	6	112.6446	3.052	8	112.6446	3.052	8	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	112.3630	1.720	3	112.5098	4.039	6	112.6446	3.052	8	112.6446	3.052	8	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:1:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H){4|C<3>}	112.4440	0.000	1	112.4440	0.000	1	112.6446	3.052	8	112.6446	3.052	8	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	111.7660	0.000	1	111.7660	0.000	1	112.0245	0.134	2	112.0245	0.134	2	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:3:1:	3:4:	4:4:4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	112.2830	0.000	1	112.2830	0.000	1	112.0245	0.134	2	112.0245	0.134	2	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:4:1:	4:4:	3:4:4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH){1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:4:4:	4:4:	3:4:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	109.5310	1.112	2	109.5310	1.236	2	109.5310	1.236	2	109.5310	1.236	2	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:2:4:4:	4:4:	4:4:3:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[6]CH)(C[6]N[6]CC)	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]N[6]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	105.6320	0.000	1	105.6320	0.000	1	105.6320	0.000	1	105.6320	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:3:2:1:	3:4:	4:4:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	3:4:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	4:3:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H)	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:3:2:4:	4:4:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:4:2:1:	4:4:	3:4:1:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H)	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Mn<8>,1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Mn<8>,1|H<1>,2|C<3>,3|C<4>}	111.4240	0.000	1	111.4240	0.000	1	112.4640	2.780	3	112.4640	2.780	3	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP2_SP3	C[6]	O[6]	N[6]	3:4:2:1:	4:4:	3:4:1:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H)	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Re<8>,1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Re<8>,1|H<1>,2|C<3>,3|C<4>}	112.9840	1.984	2	112.9840	3.937	2	112.4640	2.780	3	112.4640	2.780	3	112.3531	3.842	71	111.7182	4.244	109
466	622	856	6:SP3_SP3_SP3	C[3x6]	O[6,6]	N[6,6]	4:3:2:1:	4:4:	4:4:4:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]HH)	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	O[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]HH){1|C<3>,1|O<2>,4|C<4>}	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	110.6330	0.018	2	110.6330	0.000	2	110.6330	0.000	2	110.6330	0.000	2	110.6330	0.000	2	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[3x6]	O[6]	N[6,6]	3:4:4:2:	4:4:	4:3:3:	N[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	O[6](C[3x6]C[6,6]N[6,6]C[6])(C[6]C[6,6a]HH)	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,4|C<3>,7|H<1>}	O[6](C[3x6]C[6,6]N[6,6]C[6])(C[6]C[6,6a]HH){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	109.7935	0.046	2	109.7935	0.002	2	109.7935	0.002	2	109.7935	0.002	2	109.7935	0.002	2	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6,6]	N[3x6]	3:2:1:1:	4:4:	4:4:4:	N[3x6]-3:O[6,6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2	O[6,6](C[4x6]C[3x6]2H)(C[6,6]N[3x6]HH)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH)	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[4x6]C[3x6]2H)(C[6,6]N[3x6]HH){2|H<1>,4|C<4>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH){2|H<1>,3|C<4>,4|C<3>}	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6,6]	N[6]	3:2:2:4:	4:4:	3:4:4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[3x6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C){1|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	111.0675	0.045	2	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6,6]	N[6]	3:2:3:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	111.0675	0.045	2	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	3:4:3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){1|Br<1>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	111.2749	2.665	12	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	4:3:4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.8690	1.517	4	111.8690	2.302	4	111.8690	2.302	4	111.5624	2.196	5	111.2749	2.665	12	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	4:3:4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	111.5624	2.196	5	111.2749	2.665	12	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6]	N[6,6]	3:3:2:1:	4:4:	4:4:4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	109.4945	0.180	2	109.4945	0.033	2	109.4945	0.033	2	109.4945	0.033	2	111.2749	2.665	12	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6]	N[6,6]	3:4:2:1:	4:4:	4:4:2:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O-2:	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	111.2749	2.665	12	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6,6]	O[6]	N[6,6]	3:4:2:1:	4:4:	4:4:3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	111.1697	0.366	3	111.1697	0.134	3	111.1697	0.134	3	111.1697	0.134	3	111.2749	2.665	12	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6,6]	3:2:1:1:	4:4:	3:4:4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C[6]-4:	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	113.7193	1.085	3	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6,6]	3:2:1:1:	4:4:	4:4:4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]N[6,6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,6|H<1>}	O[6](C[6]N[6,6]HH)2{1|S<4>,2|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	113.4065	1.582	2	113.7193	1.085	3	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6,6]	3:2:1:1:	4:4:	4:4:4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2	O[6](C[6]N[6,6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	O[6](C[6]N[6,6]HH)2{1|S<4>,2|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO){2|C<4>,2|H<1>}	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	113.4065	1.582	2	113.7193	1.085	3	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	2:3:3:1:	4:4:	4:4:4:	O[6]-2:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH){1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO){1|H<1>,2|C<4>}	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	3:4:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6]-4:C-4:	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH){1|C<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	113.1420	0.143	3	113.1420	0.020	3	113.1420	0.020	3	113.1420	0.020	3	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:4:1:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:4:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	110.7920	0.210	2	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:1:1:	4:4:	4:4:4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<4>}	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	110.7920	0.210	2	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:3:1:	4:4:	4:4:4:	N[6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:S-4:	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH)	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH){1|S<4>,3|C<4>}	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:4:1:	4:4:	4:4:1:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]HH)(C[6]N[6]CH)	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]N[6]CH){2|C<4>,2|H<1>}	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	113.1163	0.225	4	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:4:1:	4:4:	4:4:1:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]HH)(C[6]N[6]CH)	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]CH){1|H<1>,3|C<4>}	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H){1|N<2>,1|N<3>,3|C<4>}	112.8840	0.447	2	112.8840	0.200	2	113.1587	0.326	3	113.1163	0.225	4	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:4:1:	4:4:	4:4:1:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]N[6]CH)	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]N[6]CH){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,2|C<4>}	113.7080	0.000	1	113.7080	0.000	1	113.1587	0.326	3	113.1163	0.225	4	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:4:2:	4:4:	3:4:4:	N[6]-3:O[6]-2:C-4:N-2:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN){1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:4:4:	4:4:	3:4:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	107.1255	0.558	2	107.1255	0.311	2	107.1255	0.311	2	107.1255	0.311	2	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:2:4:4:	4:4:	4:4:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2	O[6](C[6]C[5,6]CH)(C[6]N[6]CC)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]N[6]CC){4|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	4:2:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0265	0.490	2	108.0265	0.240	2	108.0265	0.240	2	108.0265	0.240	2	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	4:4:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH){2|C<3>,4|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	111.1133	0.683	3	111.1133	0.466	3	111.1133	0.466	3	111.9106	0.815	7	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	4:4:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	112.6560	0.423	3	112.5085	0.206	4	112.5085	0.206	4	111.9106	0.815	7	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	3:3:2:1:	4:4:	4:4:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){2|C<3>,4|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	112.0660	0.000	1	112.5085	0.206	4	112.5085	0.206	4	111.9106	0.815	7	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	4:3:2:1:	4:3:	4:4:1:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C)	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C){2|H<1>,2|O<2>,3|C<4>}	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	111.2324	4.536	28	111.3388	3.674	50
466	622	856	6:SP3_SP3_SP3	C[6]	O[6]	N[6]	4:3:2:1:	4:4:	4:2:3:	C[6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]N[6]H)(C[6]C[6]HH)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[6]C[6]N[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO){2|H<1>,4|C<4>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	111.2324	4.536	28	111.3388	3.674	50